6-[1-(1-amino-1-oxopropan-2-yl)pyrazol-4-yl]-N-[5-[[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carboxamide

C27H30N10O3 — CID 170635321

IUPAC6-[1-(1-amino-1-oxopropan-2-yl)pyrazol-4-yl]-N-[5-[[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCc1ncc(NC(=O)CN2C[C@H]3CC[C@@H]2C3)cc1NC(=O)c1cnn2cc(-c3cnn(C(C)C(N)=O)c3)ncc12
InChIInChI=1S/C27H30N10O3/c1-15-22(6-19(8-29-15)33-25(38)14-35-11-17-3-4-20(35)5-17)34-27(40)21-9-32-37-13-23(30-10-24(21)37)18-7-31-36(12-18)16(2)26(28)39/h6-10,12-13,16-17,20H,3-5,11,14H2,1-2H3,(H2,28,39)(H,33,38)(H,34,40)/t16?,17-,20+/m0/s1
InChIKeyRTQDIKQWFFMHSF-KKOVZHJLSA-N
MW542.60 g/mol
LogP2.02
Rot. Bonds8

About 6-[1-(1-amino-1-oxopropan-2-yl)pyrazol-4-yl]-N-[5-[[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carboxamide

6-[1-(1-amino-1-oxopropan-2-yl)pyrazol-4-yl]-N-[5-[[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 170635321) has the molecular formula C27H30N10O3 and a molecular weight of 542.60 g/mol. Its IUPAC name is 6-[1-(1-amino-1-oxopropan-2-yl)pyrazol-4-yl]-N-[5-[[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name6-[1-(1-amino-1-oxopropan-2-yl)pyrazol-4-yl]-N-[5-[[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID170635321
Molecular FormulaC27H30N10O3
Molecular Weight542.60 g/mol
Exact Mass542.25
IUPAC Name6-[1-(1-amino-1-oxopropan-2-yl)pyrazol-4-yl]-N-[5-[[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCc1ncc(NC(=O)CN2C[C@H]3CC[C@@H]2C3)cc1NC(=O)c1cnn2cc(-c3cnn(C(C)C(N)=O)c3)ncc12
InChIInChI=1S/C27H30N10O3/c1-15-22(6-19(8-29-15)33-25(38)14-35-11-17-3-4-20(35)5-17)34-27(40)21-9-32-37-13-23(30-10-24(21)37)18-7-31-36(12-18)16(2)26(28)39/h6-10,12-13,16-17,20H,3-5,11,14H2,1-2H3,(H2,28,39)(H,33,38)(H,34,40)/t16?,17-,20+/m0/s1
InChIKeyRTQDIKQWFFMHSF-KKOVZHJLSA-N
XLogP2.02
TPSA165.43 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.60
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-[1-(1-amino-1-oxopropan-2-yl)pyrazol-4-yl]-N-[5-[[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carboxamide with MolForge

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Related Compounds

N-[5-[[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]amino]-2-methyl-3-pyridinyl]-6-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 170635792
6-(1-cyclopropylpyrazol-4-yl)-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 170635849
2-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(5-formamido-6-methyl-3-pyridinyl)acetamide
CID 170635353
N-[5-[[(2S,4R)-1,4-dimethylpyrrolidine-2-carbonyl]amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 170635294
N-(5-amino-2-methyl-3-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 170635790
N-[5-[(1-tert-butylazetidine-3-carbonyl)amino]-2-methyl-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 170635276
N-[2-fluoro-5-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 170635473
(3E,5Z,7Z)-N-[5-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-4-chloro-2-ethyl-7-methyl-2H-1,5-diazonine-8-carboxamide
CID 170635382
N-[2-methyl-5-[[2-(2-methylpyrrolidin-1-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547372
(3Z,7Z)-N-[5-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)acetyl]amino]-2-methyl-3-pyridinyl]-4-(2,5-dimethylpyrazol-3-yl)-2-ethyl-7-methyl-2H-1,5-diazonine-8-carboxamide
CID 170635835
2-[1-(difluoromethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[methyl(oxan-4-yl)amino]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164548354
N-[5-[3-(2-azabicyclo[2.2.2]octan-2-yl)propanoylamino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
CID 170633806

Frequently Asked Questions

What is the IUPAC name of 6-[1-(1-amino-1-oxopropan-2-yl)pyrazol-4-yl]-N-[5-[[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of 6-[1-(1-amino-1-oxopropan-2-yl)pyrazol-4-yl]-N-[5-[[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 170635321) is 6-[1-(1-amino-1-oxopropan-2-yl)pyrazol-4-yl]-N-[5-[[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for 6-[1-(1-amino-1-oxopropan-2-yl)pyrazol-4-yl]-N-[5-[[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for 6-[1-(1-amino-1-oxopropan-2-yl)pyrazol-4-yl]-N-[5-[[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carboxamide is Cc1ncc(NC(=O)CN2C[C@H]3CC[C@@H]2C3)cc1NC(=O)c1cnn2cc(-c3cnn(C(C)C(N)=O)c3)ncc12.
What is the InChIKey of 6-[1-(1-amino-1-oxopropan-2-yl)pyrazol-4-yl]-N-[5-[[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is RTQDIKQWFFMHSF-KKOVZHJLSA-N. The full InChI is InChI=1S/C27H30N10O3/c1-15-22(6-19(8-29-15)33-25(38)14-35-11-17-3-4-20(35)5-17)34-27(40)21-9-32-37-13-23(30-10-24(21)37)18-7-31-36(12-18)16(2)26(28)39/h6-10,12-13,16-17,20H,3-5,11,14H2,1-2H3,(H2,28,39)(H,33,38)(H,34,40)/t16?,17-,20+/m0/s1.
What are the key properties of 6-[1-(1-amino-1-oxopropan-2-yl)pyrazol-4-yl]-N-[5-[[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carboxamide?
6-[1-(1-amino-1-oxopropan-2-yl)pyrazol-4-yl]-N-[5-[[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 542.60 g/mol, XLogP of 2.02, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1-amino-1-oxopropan-2-yl)pyrazol-4-yl]-N-[5-[[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]amino]-2-methyl-3-pyridinyl]pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 170635321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).