7-N-[(4-acetyl-1-bicyclo[2.2.1]heptanyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C52H51ClF6N10O6 — CID 90857126

IUPAC7-N-[(4-acetyl-1-bicyclo[2.2.1]heptanyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc(C(F)(F)F)cc4)nc4c(F)cnn34)(CC1)CC2.CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc(F)c(Cl)c4)nc4c(F)cnn34)(CC1)C2
InChIInChI=1S/C27H27F4N5O3.C25H24ClF2N5O3/c1-16(37)26-9-6-25(7-10-26,8-11-26)15-33-24(39)21-12-20(35-22-19(28)14-34-36(21)22)23(38)32-13-17-2-4-18(5-3-17)27(29,30)31;1-14(34)25-6-4-24(12-25,5-7-25)13-30-23(36)20-9-19(32-21-18(28)11-31-33(20)21)22(35)29-10-15-2-3-17(27)16(26)8-15/h2-5,12,14H,6-11,13,15H2,1H3,(H,32,38)(H,33,39);2-3,8-9,11H,4-7,10,12-13H2,1H3,(H,29,35)(H,30,36)
InChIKeyXKRLIZGWJMCZDM-UHFFFAOYSA-N
MW1061.48 g/mol
LogP8.34
Rot. Bonds14

About 7-N-[(4-acetyl-1-bicyclo[2.2.1]heptanyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

7-N-[(4-acetyl-1-bicyclo[2.2.1]heptanyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 90857126) has the molecular formula C52H51ClF6N10O6 and a molecular weight of 1061.48 g/mol. Its IUPAC name is 7-N-[(4-acetyl-1-bicyclo[2.2.1]heptanyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name7-N-[(4-acetyl-1-bicyclo[2.2.1]heptanyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID90857126
Molecular FormulaC52H51ClF6N10O6
Molecular Weight1061.48 g/mol
Exact Mass1060.36
IUPAC Name7-N-[(4-acetyl-1-bicyclo[2.2.1]heptanyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc(C(F)(F)F)cc4)nc4c(F)cnn34)(CC1)CC2.CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc(F)c(Cl)c4)nc4c(F)cnn34)(CC1)C2
InChIInChI=1S/C27H27F4N5O3.C25H24ClF2N5O3/c1-16(37)26-9-6-25(7-10-26,8-11-26)15-33-24(39)21-12-20(35-22-19(28)14-34-36(21)22)23(38)32-13-17-2-4-18(5-3-17)27(29,30)31;1-14(34)25-6-4-24(12-25,5-7-25)13-30-23(36)20-9-19(32-21-18(28)11-31-33(20)21)22(35)29-10-15-2-3-17(27)16(26)8-15/h2-5,12,14H,6-11,13,15H2,1H3,(H,32,38)(H,33,39);2-3,8-9,11H,4-7,10,12-13H2,1H3,(H,29,35)(H,30,36)
InChIKeyXKRLIZGWJMCZDM-UHFFFAOYSA-N
XLogP8.34
TPSA210.92 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001061.48
LogP ≤ 58.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 7-N-[(4-acetyl-1-bicyclo[2.2.1]heptanyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide with MolForge

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Related Compounds

MMP Inhibitor, 6
CID 12000721
5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 12000724
5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[[4-(methylcarbamoyl)-1-bicyclo[2.2.2]octanyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 12001613
5-N-[(3-chloro-4-fluorophenyl)methyl]-7-N-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-8-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 12001884
5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-N-[(5-fluoro-2-pyridinyl)methyl]-3-methylbenzamide
CID 58047713
5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]benzamide
CID 58047732
N-[(4-tert-butylphenyl)methyl]-5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methylbenzamide
CID 58047764
5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-3-methylbenzamide
CID 58047841
5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-N-[(3,5-difluoro-2-pyridinyl)methyl]-3-methylbenzamide
CID 58047854
5-chloro-2-[2-[1-(3-chloro-2-pyridinyl)-3-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrazol-5-yl]-2-oxoethyl]-3-methyl-N-[(6-phenyl-2-pyridinyl)methyl]benzamide
CID 58047895
N-[(2S)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-2-fluoro-4-[6-(1-tritylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 58665981
7-N-[(4-acetylphenyl)methyl]-3-N-(2-chlorophenyl)-5-N-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3,5,7-tricarboxamide
CID 58916639

Frequently Asked Questions

What is the IUPAC name of 7-N-[(4-acetyl-1-bicyclo[2.2.1]heptanyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 7-N-[(4-acetyl-1-bicyclo[2.2.1]heptanyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 90857126) is 7-N-[(4-acetyl-1-bicyclo[2.2.1]heptanyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 7-N-[(4-acetyl-1-bicyclo[2.2.1]heptanyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 7-N-[(4-acetyl-1-bicyclo[2.2.1]heptanyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc(C(F)(F)F)cc4)nc4c(F)cnn34)(CC1)CC2.CC(=O)C12CCC(CNC(=O)c3cc(C(=O)NCc4ccc(F)c(Cl)c4)nc4c(F)cnn34)(CC1)C2.
What is the InChIKey of 7-N-[(4-acetyl-1-bicyclo[2.2.1]heptanyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is XKRLIZGWJMCZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F4N5O3.C25H24ClF2N5O3/c1-16(37)26-9-6-25(7-10-26,8-11-26)15-33-24(39)21-12-20(35-22-19(28)14-34-36(21)22)23(38)32-13-17-2-4-18(5-3-17)27(29,30)31;1-14(34)25-6-4-24(12-25,5-7-25)13-30-23(36)20-9-19(32-21-18(28)11-31-33(20)21)22(35)29-10-15-2-3-17(27)16(26)8-15/h2-5,12,14H,6-11,13,15H2,1H3,(H,32,38)(H,33,39);2-3,8-9,11H,4-7,10,12-13H2,1H3,(H,29,35)(H,30,36).
What are the key properties of 7-N-[(4-acetyl-1-bicyclo[2.2.1]heptanyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
7-N-[(4-acetyl-1-bicyclo[2.2.1]heptanyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 1061.48 g/mol, XLogP of 8.34, 14 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[(4-acetyl-1-bicyclo[2.2.1]heptanyl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-1-bicyclo[2.2.2]octanyl)methyl]-3-fluoro-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 90857126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).