7-N-[(1-acetylpiperidin-4-yl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-6,7-dihydro-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C25H28FN7O5 — CID 143587529

IUPAC7-N-[(1-acetylpiperidin-4-yl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-6,7-dihydro-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC(=O)N1CCC(CNC(=O)c2cc(C(=O)NCC3=Cc4c(oc(=O)n4C)CC3)nc3c(F)cnn23)CC1
InChIInChI=1S/C25H28FN7O5/c1-14(34)32-7-5-15(6-8-32)11-28-24(36)20-10-18(30-22-17(26)13-29-33(20)22)23(35)27-12-16-3-4-21-19(9-16)31(2)25(37)38-21/h9-10,13,15H,3-8,11-12H2,1-2H3,(H,27,35)(H,28,36)
InChIKeyKHMMTUUWYKLRLW-UHFFFAOYSA-N
MW525.54 g/mol
LogP0.91
Rot. Bonds6

About 7-N-[(1-acetylpiperidin-4-yl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-6,7-dihydro-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

7-N-[(1-acetylpiperidin-4-yl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-6,7-dihydro-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 143587529) has the molecular formula C25H28FN7O5 and a molecular weight of 525.54 g/mol. Its IUPAC name is 7-N-[(1-acetylpiperidin-4-yl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-6,7-dihydro-1,3-benzoxazol-5-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-methyl-2-oxo-6,7-dihydro-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID143587529
Molecular FormulaC25H28FN7O5
Molecular Weight525.54 g/mol
Exact Mass525.21
IUPAC Name7-N-[(1-acetylpiperidin-4-yl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-6,7-dihydro-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCC(=O)N1CCC(CNC(=O)c2cc(C(=O)NCC3=Cc4c(oc(=O)n4C)CC3)nc3c(F)cnn23)CC1
InChIInChI=1S/C25H28FN7O5/c1-14(34)32-7-5-15(6-8-32)11-28-24(36)20-10-18(30-22-17(26)13-29-33(20)22)23(35)27-12-16-3-4-21-19(9-16)31(2)25(37)38-21/h9-10,13,15H,3-8,11-12H2,1-2H3,(H,27,35)(H,28,36)
InChIKeyKHMMTUUWYKLRLW-UHFFFAOYSA-N
XLogP0.91
TPSA143.84 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.54
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 7-N-[(1-acetylpiperidin-4-yl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-6,7-dihydro-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide with MolForge

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Related Compounds

Methyl 4-[[5-[(4-fluorophenyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-1-methylcyclohex-3-ene-1-carboxylate
CID 70947842
7-N-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]methyl]-3-fluoro-5-N-[(Z)-2-methylidene-4-(3-methyl-5-oxo-4H-1,4-oxazin-2-yl)but-3-enyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 88267123
(3Z)-3-[(2E)-2-ethylidene-3-[[5-[[(2E,3Z,5E)-2-ethylidene-6-(trifluoromethoxy)hepta-3,5-dienyl]carbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]cyclopentylidene]butanoic acid
CID 143344500
5-N-[(E)-2-methyl-3-(5-oxo-2-prop-2-enyl-4H-1,4-oxazin-3-yl)prop-2-enyl]-7-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 143587604
3-fluoro-5-N-[(3-methoxy-3,4,7,8-tetrahydro-2H-1,4-benzoxazin-6-yl)methyl]-7-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 143587678
7-N-(cyclopentylmethyl)-5-N-[(3-oxo-7,8-dihydro-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 143587538
ethane;7-N-methyl-7-N-[(1-methyl-3,5-dipropylcyclohexyl)methyl]-5-N-[(3-methyl-2-oxo-4,7-dihydrocycloocta[d][1,3]oxazol-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 143587993
7-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-5-N-[(2-oxo-6,7-dihydro-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 143588407
5-N-[(Z)-4-(4-ethyl-3-methyl-2-oxo-1,3-oxazol-5-yl)but-3-enyl]-7-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 143588530
5-methyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110090720
N-[2-(1-acetylpiperidin-4-yl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110090806
Ethyl 4-[(7-methylpyrazolo[1,5-a]pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate
CID 110853944

Frequently Asked Questions

What is the IUPAC name of 7-N-[(1-acetylpiperidin-4-yl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-6,7-dihydro-1,3-benzoxazol-5-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-methyl-2-oxo-6,7-dihydro-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 143587529) is 7-N-[(1-acetylpiperidin-4-yl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-6,7-dihydro-1,3-benzoxazol-5-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-methyl-2-oxo-6,7-dihydro-1,3-benzoxazol-5-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-methyl-2-oxo-6,7-dihydro-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is CC(=O)N1CCC(CNC(=O)c2cc(C(=O)NCC3=Cc4c(oc(=O)n4C)CC3)nc3c(F)cnn23)CC1.
What is the InChIKey of 7-N-[(1-acetylpiperidin-4-yl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-6,7-dihydro-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is KHMMTUUWYKLRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN7O5/c1-14(34)32-7-5-15(6-8-32)11-28-24(36)20-10-18(30-22-17(26)13-29-33(20)22)23(35)27-12-16-3-4-21-19(9-16)31(2)25(37)38-21/h9-10,13,15H,3-8,11-12H2,1-2H3,(H,27,35)(H,28,36).
What are the key properties of 7-N-[(1-acetylpiperidin-4-yl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-6,7-dihydro-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
7-N-[(1-acetylpiperidin-4-yl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-6,7-dihydro-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 525.54 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[(1-acetylpiperidin-4-yl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-6,7-dihydro-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 143587529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).