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

C27H24N6O4 — CID 59460978

IUPAC7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC45C6C7C4C4C5C6C74C)n4nccc4n3)cc21
InChIInChI=1S/C27H24N6O4/c1-26-17-20-18(26)22-19(26)21(17)27(20,22)10-29-24(35)14-8-12(31-16-5-6-30-33(14)16)23(34)28-9-11-3-4-15-13(7-11)32(2)25(36)37-15/h3-8,17-22H,9-10H2,1-2H3,(H,28,34)(H,29,35)
InChIKeyKOLFKDWYVQGZNR-UHFFFAOYSA-N
MW496.53 g/mol
LogP1.59
Rot. Bonds6

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

7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 59460978) has the molecular formula C27H24N6O4 and a molecular weight of 496.53 g/mol. Its IUPAC name is 7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID59460978
Molecular FormulaC27H24N6O4
Molecular Weight496.53 g/mol
Exact Mass496.19
IUPAC Name7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC45C6C7C4C4C5C6C74C)n4nccc4n3)cc21
InChIInChI=1S/C27H24N6O4/c1-26-17-20-18(26)22-19(26)21(17)27(20,22)10-29-24(35)14-8-12(31-16-5-6-30-33(14)16)23(34)28-9-11-3-4-15-13(7-11)32(2)25(36)37-15/h3-8,17-22H,9-10H2,1-2H3,(H,28,34)(H,29,35)
InChIKeyKOLFKDWYVQGZNR-UHFFFAOYSA-N
XLogP1.59
TPSA123.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.53
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 59460978) is 7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is Cn1c(=O)oc2ccc(CNC(=O)c3cc(C(=O)NCC45C6C7C4C4C5C6C74C)n4nccc4n3)cc21.
What is the InChIKey of 7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is KOLFKDWYVQGZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O4/c1-26-17-20-18(26)22-19(26)21(17)27(20,22)10-29-24(35)14-8-12(31-16-5-6-30-33(14)16)23(34)28-9-11-3-4-15-13(7-11)32(2)25(36)37-15/h3-8,17-22H,9-10H2,1-2H3,(H,28,34)(H,29,35).
What are the key properties of 7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 496.53 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[(4-methylcuban-1-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 59460978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).