N-[[(7S)-2-[4-cyano-2-(cyclopropanecarbonylamino)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]-1-methylpyrrolidine-3-carboxamide

C25H29N7O3 — CID 145264661

IUPACN-[[(7S)-2-[4-cyano-2-(cyclopropanecarbonylamino)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]-1-methylpyrrolidine-3-carboxamide
SMILESC[C@H]1CN(CNC(=O)C2CCN(C)C2)C(=O)c2cc(-c3ccc(C#N)cc3NC(=O)C3CC3)nn21
InChIInChI=1S/C25H29N7O3/c1-15-12-31(14-27-23(33)18-7-8-30(2)13-18)25(35)22-10-21(29-32(15)22)19-6-3-16(11-26)9-20(19)28-24(34)17-4-5-17/h3,6,9-10,15,17-18H,4-5,7-8,12-14H2,1-2H3,(H,27,33)(H,28,34)/t15-,18?/m0/s1
InChIKeyFXWJVBNUCKGAIB-BUSXIPJBSA-N
MW475.55 g/mol
LogP1.81
Rot. Bonds6

About N-[[(7S)-2-[4-cyano-2-(cyclopropanecarbonylamino)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]-1-methylpyrrolidine-3-carboxamide

N-[[(7S)-2-[4-cyano-2-(cyclopropanecarbonylamino)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]-1-methylpyrrolidine-3-carboxamide (PubChem CID 145264661) has the molecular formula C25H29N7O3 and a molecular weight of 475.55 g/mol. Its IUPAC name is N-[[(7S)-2-[4-cyano-2-(cyclopropanecarbonylamino)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]-1-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[(7S)-2-[4-cyano-2-(cyclopropanecarbonylamino)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]-1-methylpyrrolidine-3-carboxamide
PubChem CID145264661
Molecular FormulaC25H29N7O3
Molecular Weight475.55 g/mol
Exact Mass475.23
IUPAC NameN-[[(7S)-2-[4-cyano-2-(cyclopropanecarbonylamino)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]-1-methylpyrrolidine-3-carboxamide
SMILESC[C@H]1CN(CNC(=O)C2CCN(C)C2)C(=O)c2cc(-c3ccc(C#N)cc3NC(=O)C3CC3)nn21
InChIInChI=1S/C25H29N7O3/c1-15-12-31(14-27-23(33)18-7-8-30(2)13-18)25(35)22-10-21(29-32(15)22)19-6-3-16(11-26)9-20(19)28-24(34)17-4-5-17/h3,6,9-10,15,17-18H,4-5,7-8,12-14H2,1-2H3,(H,27,33)(H,28,34)/t15-,18?/m0/s1
InChIKeyFXWJVBNUCKGAIB-BUSXIPJBSA-N
XLogP1.81
TPSA123.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[(7S)-2-[4-cyano-2-(cyclopropanecarbonylamino)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]-1-methylpyrrolidine-3-carboxamide 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

N-[5-cyano-2-[(7S)-7-methyl-4-oxo-5-[[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]phenyl]cyclopropanecarboxamide
CID 145264603
N-[2-[(7S)-5-[[[3-amino-2-(methyliminomethyl)prop-2-enoyl]amino]methyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]-5-cyanophenyl]cyclopropanecarboxamide
CID 145264623
N-[[2-[4-cyano-2-(methylamino)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-fluorocyclopropane-1-carboxamide
CID 145264689
methyl N-[2-[(7S)-5-[(3-aminopropanoylamino)methyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]-5-cyanophenyl]carbamate
CID 145264701
methyl N-[5-methyl-2-[7-methyl-4-oxo-5-[(propanoylamino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]phenyl]carbamate
CID 145264797
N-[5-cyano-2-[2-methyl-6-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyrimidin-4-yl]phenyl]cyclopropanecarboxamide
CID 137426280
N-[5-cyano-2-[2-methyl-1-[2-(oxetan-3-ylamino)-2-oxoethyl]-6-oxopyrimidin-4-yl]phenyl]cyclopropanecarboxamide
CID 137426265
N-(2-cyanoethyl)-2-[2-[2-[(2-methoxyacetyl)amino]-4-(methylaminomethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]-N-methylacetamide
CID 144910141
4-[[2-[4-chloro-2-(methoxymethyl)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]benzonitrile
CID 144910451
1-[2-[5-[(4-ethynylphenyl)methyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-2-yl]-5-methylphenyl]-1,3-dimethylurea
CID 137444105
N-[5-cyano-2-[2-methyl-6-oxo-1-[2-oxo-2-[(3-oxo-1,2-oxazol-5-yl)methylamino]ethyl]pyrimidin-4-yl]phenyl]cyclopropanecarboxamide
CID 137426278
N-(3-cyanophenyl)-1-methylpiperidine-3-carboxamide
CID 110864808

Frequently Asked Questions

What is the IUPAC name of N-[[(7S)-2-[4-cyano-2-(cyclopropanecarbonylamino)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]-1-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[[(7S)-2-[4-cyano-2-(cyclopropanecarbonylamino)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]-1-methylpyrrolidine-3-carboxamide (CID 145264661) is N-[[(7S)-2-[4-cyano-2-(cyclopropanecarbonylamino)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]-1-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[(7S)-2-[4-cyano-2-(cyclopropanecarbonylamino)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]-1-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[[(7S)-2-[4-cyano-2-(cyclopropanecarbonylamino)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]-1-methylpyrrolidine-3-carboxamide is C[C@H]1CN(CNC(=O)C2CCN(C)C2)C(=O)c2cc(-c3ccc(C#N)cc3NC(=O)C3CC3)nn21.
What is the InChIKey of N-[[(7S)-2-[4-cyano-2-(cyclopropanecarbonylamino)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]-1-methylpyrrolidine-3-carboxamide?
The InChIKey is FXWJVBNUCKGAIB-BUSXIPJBSA-N. The full InChI is InChI=1S/C25H29N7O3/c1-15-12-31(14-27-23(33)18-7-8-30(2)13-18)25(35)22-10-21(29-32(15)22)19-6-3-16(11-26)9-20(19)28-24(34)17-4-5-17/h3,6,9-10,15,17-18H,4-5,7-8,12-14H2,1-2H3,(H,27,33)(H,28,34)/t15-,18?/m0/s1.
What are the key properties of N-[[(7S)-2-[4-cyano-2-(cyclopropanecarbonylamino)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]-1-methylpyrrolidine-3-carboxamide?
N-[[(7S)-2-[4-cyano-2-(cyclopropanecarbonylamino)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]-1-methylpyrrolidine-3-carboxamide has a molecular weight of 475.55 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(7S)-2-[4-cyano-2-(cyclopropanecarbonylamino)phenyl]-7-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-5-yl]methyl]-1-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 145264661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).