7-N-[(1-acetylpiperidin-4-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclohexylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopentylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopropylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-fluoro-4-methylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C171H175F8N43O29 — CID 157146387

IUPAC7-N-[(1-acetylpiperidin-4-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclohexylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopentylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopropylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-fluoro-4-methylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC(=O)N1CCC(CNC(=O)c2cc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)nc3c(F)cnn23)CC1.CC1(F)CCC(CNC(=O)c2cc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)nc3c(F)cnn23)CC1.CC12CCC(CNC(=O)c3cc(C(=O)NCc4ccc5c(c4)NC(=O)CO5)nc4c(F)cnn34)(CC1)CC2.O=C1COc2ccc(CNC(=O)c3cc(C(=O)NCC45CCC(CC4)CC5)n4ncc(F)c4n3)cc2N1.O=C1COc2ccc(CNC(=O)c3cc(C(=O)NCC4CC4)n4ncc(F)c4n3)cc2N1.O=C1COc2ccc(CNC(=O)c3cc(C(=O)NCC4CCCC4)n4ncc(F)c4n3)cc2N1.O=C1COc2ccc(CNC(=O)c3cc(C(=O)NCC4CCCCC4)n4ncc(F)c4n3)cc2N1
InChIInChI=1S/C27H29FN6O4.C26H27FN6O4.C25H26F2N6O4.C25H26FN7O5.C24H25FN6O4.C23H23FN6O4.C21H19FN6O4/c1-26-4-7-27(8-5-26,9-6-26)15-30-25(37)20-11-19(33-23-17(28)13-31-34(20)23)24(36)29-12-16-2-3-21-18(10-16)32-22(35)14-38-21;27-17-12-30-33-20(25(36)29-14-26-6-3-15(4-7-26)5-8-26)10-19(32-23(17)33)24(35)28-11-16-1-2-21-18(9-16)31-22(34)13-37-21;1-25(27)6-4-14(5-7-25)10-29-24(36)19-9-18(32-22-16(26)12-30-33(19)22)23(35)28-11-15-2-3-20-17(8-15)31-21(34)13-37-20;1-14(34)32-6-4-15(5-7-32)10-28-25(37)20-9-19(31-23-17(26)12-29-33(20)23)24(36)27-11-16-2-3-21-18(8-16)30-22(35)13-38-21;25-16-12-28-31-19(24(34)27-10-14-4-2-1-3-5-14)9-18(30-22(16)31)23(33)26-11-15-6-7-20-17(8-15)29-21(32)13-35-20;24-15-11-27-30-18(23(33)26-9-13-3-1-2-4-13)8-17(29-21(15)30)22(32)25-10-14-5-6-19-16(7-14)28-20(31)12-34-19;22-13-9-25-28-16(21(31)24-7-11-1-2-11)6-15(27-19(13)28)20(30)23-8-12-3-4-17-14(5-12)26-18(29)10-32-17/h2-3,10-11,13H,4-9,12,14-15H2,1H3,(H,29,36)(H,30,37)(H,32,35);1-2,9-10,12,15H,3-8,11,13-14H2,(H,28,35)(H,29,36)(H,31,34);2-3,8-9,12,14H,4-7,10-11,13H2,1H3,(H,28,35)(H,29,36)(H,31,34);2-3,8-9,12,15H,4-7,10-11,13H2,1H3,(H,27,36)(H,28,37)(H,30,35);6-9,12,14H,1-5,10-11,13H2,(H,26,33)(H,27,34)(H,29,32);5-8,11,13H,1-4,9-10,12H2,(H,25,32)(H,26,33)(H,28,31);3-6,9,11H,1-2,7-8,10H2,(H,23,30)(H,24,31)(H,26,29)
InChIKeyAKTCZFWFHDLNDT-UHFFFAOYSA-N
MW3448.54 g/mol
LogP15.70
Rot. Bonds42

About 7-N-[(1-acetylpiperidin-4-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclohexylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopentylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopropylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-fluoro-4-methylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

7-N-[(1-acetylpiperidin-4-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclohexylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopentylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopropylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-fluoro-4-methylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 157146387) has the molecular formula C171H175F8N43O29 and a molecular weight of 3448.54 g/mol. Its IUPAC name is 7-N-[(1-acetylpiperidin-4-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclohexylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopentylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopropylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-fluoro-4-methylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name7-N-[(1-acetylpiperidin-4-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclohexylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopentylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopropylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-fluoro-4-methylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID157146387
Molecular FormulaC171H175F8N43O29
Molecular Weight3448.54 g/mol
Exact Mass3446.34
IUPAC Name7-N-[(1-acetylpiperidin-4-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclohexylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopentylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopropylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-fluoro-4-methylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC(=O)N1CCC(CNC(=O)c2cc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)nc3c(F)cnn23)CC1.CC1(F)CCC(CNC(=O)c2cc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)nc3c(F)cnn23)CC1.CC12CCC(CNC(=O)c3cc(C(=O)NCc4ccc5c(c4)NC(=O)CO5)nc4c(F)cnn34)(CC1)CC2.O=C1COc2ccc(CNC(=O)c3cc(C(=O)NCC45CCC(CC4)CC5)n4ncc(F)c4n3)cc2N1.O=C1COc2ccc(CNC(=O)c3cc(C(=O)NCC4CC4)n4ncc(F)c4n3)cc2N1.O=C1COc2ccc(CNC(=O)c3cc(C(=O)NCC4CCCC4)n4ncc(F)c4n3)cc2N1.O=C1COc2ccc(CNC(=O)c3cc(C(=O)NCC4CCCCC4)n4ncc(F)c4n3)cc2N1
InChIInChI=1S/C27H29FN6O4.C26H27FN6O4.C25H26F2N6O4.C25H26FN7O5.C24H25FN6O4.C23H23FN6O4.C21H19FN6O4/c1-26-4-7-27(8-5-26,9-6-26)15-30-25(37)20-11-19(33-23-17(28)13-31-34(20)23)24(36)29-12-16-2-3-21-18(10-16)32-22(35)14-38-21;27-17-12-30-33-20(25(36)29-14-26-6-3-15(4-7-26)5-8-26)10-19(32-23(17)33)24(35)28-11-16-1-2-21-18(9-16)31-22(34)13-37-21;1-25(27)6-4-14(5-7-25)10-29-24(36)19-9-18(32-22-16(26)12-30-33(19)22)23(35)28-11-15-2-3-20-17(8-15)31-21(34)13-37-20;1-14(34)32-6-4-15(5-7-32)10-28-25(37)20-9-19(31-23-17(26)12-29-33(20)23)24(36)27-11-16-2-3-21-18(8-16)30-22(35)13-38-21;25-16-12-28-31-19(24(34)27-10-14-4-2-1-3-5-14)9-18(30-22(16)31)23(33)26-11-15-6-7-20-17(8-15)29-21(32)13-35-20;24-15-11-27-30-18(23(33)26-9-13-3-1-2-4-13)8-17(29-21(15)30)22(32)25-10-14-5-6-19-16(7-14)28-20(31)12-34-19;22-13-9-25-28-16(21(31)24-7-11-1-2-11)6-15(27-19(13)28)20(30)23-8-12-3-4-17-14(5-12)26-18(29)10-32-17/h2-3,10-11,13H,4-9,12,14-15H2,1H3,(H,29,36)(H,30,37)(H,32,35);1-2,9-10,12,15H,3-8,11,13-14H2,(H,28,35)(H,29,36)(H,31,34);2-3,8-9,12,14H,4-7,10-11,13H2,1H3,(H,28,35)(H,29,36)(H,31,34);2-3,8-9,12,15H,4-7,10-11,13H2,1H3,(H,27,36)(H,28,37)(H,30,35);6-9,12,14H,1-5,10-11,13H2,(H,26,33)(H,27,34)(H,29,32);5-8,11,13H,1-4,9-10,12H2,(H,25,32)(H,26,33)(H,28,31);3-6,9,11H,1-2,7-8,10H2,(H,23,30)(H,24,31)(H,26,29)
InChIKeyAKTCZFWFHDLNDT-UHFFFAOYSA-N
XLogP15.70
TPSA907.35 Ų
H-Bond Donors21
H-Bond Acceptors50
Rotatable Bonds42
Heavy Atoms251
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003448.54
LogP ≤ 515.70
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1050

Analyze 7-N-[(1-acetylpiperidin-4-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclohexylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopentylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopropylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-fluoro-4-methylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-7-N-[[4-(methylsulfonylcarbamoyl)-1-bicyclo[2.2.2]octanyl]methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 12001711
3-fluoro-7-N-[(4-fluorophenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 24872120
methyl 4-[[[3-fluoro-5-(4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-8-ylmethylcarbamoyl)pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]bicyclo[2.2.2]octane-1-carboxylate
CID 59254371
4-[[[5-[(4-Ethyl-3-oxo-1,4-benzoxazin-6-yl)methylcarbamoyl]-3-fluoropyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]bicyclo[2.2.2]octane-1-carboxylic acid
CID 59460623
3-fluoro-7-N-[(4-methylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59460641
7-N-[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59460673
7-N-(cyclohexylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59460695
7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59460757
3-fluoro-7-N-[(4-fluoro-4-methylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59460816
3-fluoro-7-N-[(4-fluoro-3-methylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59460824
Methyl 4-[[[5-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)methylcarbamoyl]-3-fluoropyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]bicyclo[2.2.2]octane-1-carboxylate
CID 59460836
7-N-[(3-fluoro-4-methylphenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59460859

Frequently Asked Questions

What is the IUPAC name of 7-N-[(1-acetylpiperidin-4-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclohexylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopentylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopropylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-fluoro-4-methylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 7-N-[(1-acetylpiperidin-4-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclohexylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopentylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopropylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-fluoro-4-methylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 157146387) is 7-N-[(1-acetylpiperidin-4-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclohexylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopentylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopropylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-fluoro-4-methylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 7-N-[(1-acetylpiperidin-4-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclohexylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopentylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopropylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-fluoro-4-methylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 7-N-[(1-acetylpiperidin-4-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclohexylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopentylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopropylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-fluoro-4-methylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is CC(=O)N1CCC(CNC(=O)c2cc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)nc3c(F)cnn23)CC1.CC1(F)CCC(CNC(=O)c2cc(C(=O)NCc3ccc4c(c3)NC(=O)CO4)nc3c(F)cnn23)CC1.CC12CCC(CNC(=O)c3cc(C(=O)NCc4ccc5c(c4)NC(=O)CO5)nc4c(F)cnn34)(CC1)CC2.O=C1COc2ccc(CNC(=O)c3cc(C(=O)NCC45CCC(CC4)CC5)n4ncc(F)c4n3)cc2N1.O=C1COc2ccc(CNC(=O)c3cc(C(=O)NCC4CC4)n4ncc(F)c4n3)cc2N1.O=C1COc2ccc(CNC(=O)c3cc(C(=O)NCC4CCCC4)n4ncc(F)c4n3)cc2N1.O=C1COc2ccc(CNC(=O)c3cc(C(=O)NCC4CCCCC4)n4ncc(F)c4n3)cc2N1.
What is the InChIKey of 7-N-[(1-acetylpiperidin-4-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclohexylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopentylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopropylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-fluoro-4-methylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is AKTCZFWFHDLNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN6O4.C26H27FN6O4.C25H26F2N6O4.C25H26FN7O5.C24H25FN6O4.C23H23FN6O4.C21H19FN6O4/c1-26-4-7-27(8-5-26,9-6-26)15-30-25(37)20-11-19(33-23-17(28)13-31-34(20)23)24(36)29-12-16-2-3-21-18(10-16)32-22(35)14-38-21;27-17-12-30-33-20(25(36)29-14-26-6-3-15(4-7-26)5-8-26)10-19(32-23(17)33)24(35)28-11-16-1-2-21-18(9-16)31-22(34)13-37-21;1-25(27)6-4-14(5-7-25)10-29-24(36)19-9-18(32-22-16(26)12-30-33(19)22)23(35)28-11-15-2-3-20-17(8-15)31-21(34)13-37-20;1-14(34)32-6-4-15(5-7-32)10-28-25(37)20-9-19(31-23-17(26)12-29-33(20)23)24(36)27-11-16-2-3-21-18(8-16)30-22(35)13-38-21;25-16-12-28-31-19(24(34)27-10-14-4-2-1-3-5-14)9-18(30-22(16)31)23(33)26-11-15-6-7-20-17(8-15)29-21(32)13-35-20;24-15-11-27-30-18(23(33)26-9-13-3-1-2-4-13)8-17(29-21(15)30)22(32)25-10-14-5-6-19-16(7-14)28-20(31)12-34-19;22-13-9-25-28-16(21(31)24-7-11-1-2-11)6-15(27-19(13)28)20(30)23-8-12-3-4-17-14(5-12)26-18(29)10-32-17/h2-3,10-11,13H,4-9,12,14-15H2,1H3,(H,29,36)(H,30,37)(H,32,35);1-2,9-10,12,15H,3-8,11,13-14H2,(H,28,35)(H,29,36)(H,31,34);2-3,8-9,12,14H,4-7,10-11,13H2,1H3,(H,28,35)(H,29,36)(H,31,34);2-3,8-9,12,15H,4-7,10-11,13H2,1H3,(H,27,36)(H,28,37)(H,30,35);6-9,12,14H,1-5,10-11,13H2,(H,26,33)(H,27,34)(H,29,32);5-8,11,13H,1-4,9-10,12H2,(H,25,32)(H,26,33)(H,28,31);3-6,9,11H,1-2,7-8,10H2,(H,23,30)(H,24,31)(H,26,29).
What are the key properties of 7-N-[(1-acetylpiperidin-4-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclohexylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopentylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopropylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-fluoro-4-methylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
7-N-[(1-acetylpiperidin-4-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclohexylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopentylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopropylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-fluoro-4-methylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 3448.54 g/mol, XLogP of 15.70, 42 rotatable bonds, 21 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[(1-acetylpiperidin-4-yl)methyl]-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(1-bicyclo[2.2.2]octanylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclohexylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopentylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-(cyclopropylmethyl)-3-fluoro-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-fluoro-4-methylcyclohexyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(4-methyl-1-bicyclo[2.2.2]octanyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 157146387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).