5-[4-[4-(1-aminocyclopentyl)phenyl]phenyl]-N-(3-cyanophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide

C31H28N6O2 — CID 170712773

IUPAC5-[4-[4-(1-aminocyclopentyl)phenyl]phenyl]-N-(3-cyanophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cnn3c2C(=O)N(c2ccc(-c4ccc(C5(N)CCCC5)cc4)cc2)CC3)c1
InChIInChI=1S/C31H28N6O2/c32-19-21-4-3-5-25(18-21)35-29(38)27-20-34-37-17-16-36(30(39)28(27)37)26-12-8-23(9-13-26)22-6-10-24(11-7-22)31(33)14-1-2-15-31/h3-13,18,20H,1-2,14-17,33H2,(H,35,38)
InChIKeyQYPZCQMPDOFDJP-UHFFFAOYSA-N
MW516.61 g/mol
LogP5.06
Rot. Bonds5

About 5-[4-[4-(1-aminocyclopentyl)phenyl]phenyl]-N-(3-cyanophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide

5-[4-[4-(1-aminocyclopentyl)phenyl]phenyl]-N-(3-cyanophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 170712773) has the molecular formula C31H28N6O2 and a molecular weight of 516.61 g/mol. Its IUPAC name is 5-[4-[4-(1-aminocyclopentyl)phenyl]phenyl]-N-(3-cyanophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name5-[4-[4-(1-aminocyclopentyl)phenyl]phenyl]-N-(3-cyanophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID170712773
Molecular FormulaC31H28N6O2
Molecular Weight516.61 g/mol
Exact Mass516.23
IUPAC Name5-[4-[4-(1-aminocyclopentyl)phenyl]phenyl]-N-(3-cyanophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cnn3c2C(=O)N(c2ccc(-c4ccc(C5(N)CCCC5)cc4)cc2)CC3)c1
InChIInChI=1S/C31H28N6O2/c32-19-21-4-3-5-25(18-21)35-29(38)27-20-34-37-17-16-36(30(39)28(27)37)26-12-8-23(9-13-26)22-6-10-24(11-7-22)31(33)14-1-2-15-31/h3-13,18,20H,1-2,14-17,33H2,(H,35,38)
InChIKeyQYPZCQMPDOFDJP-UHFFFAOYSA-N
XLogP5.06
TPSA117.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.61
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(1-aminocyclopentyl)phenyl]phenyl]-N-(3-cyanophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of 5-[4-[4-(1-aminocyclopentyl)phenyl]phenyl]-N-(3-cyanophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (CID 170712773) is 5-[4-[4-(1-aminocyclopentyl)phenyl]phenyl]-N-(3-cyanophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for 5-[4-[4-(1-aminocyclopentyl)phenyl]phenyl]-N-(3-cyanophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for 5-[4-[4-(1-aminocyclopentyl)phenyl]phenyl]-N-(3-cyanophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is N#Cc1cccc(NC(=O)c2cnn3c2C(=O)N(c2ccc(-c4ccc(C5(N)CCCC5)cc4)cc2)CC3)c1.
What is the InChIKey of 5-[4-[4-(1-aminocyclopentyl)phenyl]phenyl]-N-(3-cyanophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is QYPZCQMPDOFDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N6O2/c32-19-21-4-3-5-25(18-21)35-29(38)27-20-34-37-17-16-36(30(39)28(27)37)26-12-8-23(9-13-26)22-6-10-24(11-7-22)31(33)14-1-2-15-31/h3-13,18,20H,1-2,14-17,33H2,(H,35,38).
What are the key properties of 5-[4-[4-(1-aminocyclopentyl)phenyl]phenyl]-N-(3-cyanophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?
5-[4-[4-(1-aminocyclopentyl)phenyl]phenyl]-N-(3-cyanophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 516.61 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(1-aminocyclopentyl)phenyl]phenyl]-N-(3-cyanophenyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 170712773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).