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

C29H35N9O3 — CID 170635792

IUPACN-[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
SMILESCOCCn1nc(C)c(-c2cn3ncc(C(=O)Nc4cc(NC(=O)CN5C[C@H]6CC[C@@H]5C6)cnc4C)c3cn2)c1C
InChIInChI=1S/C29H35N9O3/c1-17-24(10-21(11-30-17)33-27(39)16-36-14-20-5-6-22(36)9-20)34-29(40)23-12-32-38-15-25(31-13-26(23)38)28-18(2)35-37(19(28)3)7-8-41-4/h10-13,15,20,22H,5-9,14,16H2,1-4H3,(H,33,39)(H,34,40)/t20-,22+/m0/s1
InChIKeyYSXLYSSUCMUHAR-RBBKRZOGSA-N
MW557.66 g/mol
LogP3.23
Rot. Bonds9

About 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

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 (PubChem CID 170635792) has the molecular formula C29H35N9O3 and a molecular weight of 557.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID170635792
Molecular FormulaC29H35N9O3
Molecular Weight557.66 g/mol
Exact Mass557.29
IUPAC NameN-[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
SMILESCOCCn1nc(C)c(-c2cn3ncc(C(=O)Nc4cc(NC(=O)CN5C[C@H]6CC[C@@H]5C6)cnc4C)c3cn2)c1C
InChIInChI=1S/C29H35N9O3/c1-17-24(10-21(11-30-17)33-27(39)16-36-14-20-5-6-22(36)9-20)34-29(40)23-12-32-38-15-25(31-13-26(23)38)28-18(2)35-37(19(28)3)7-8-41-4/h10-13,15,20,22H,5-9,14,16H2,1-4H3,(H,33,39)(H,34,40)/t20-,22+/m0/s1
InChIKeyYSXLYSSUCMUHAR-RBBKRZOGSA-N
XLogP3.23
TPSA131.57 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.66
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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
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-[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
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
(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-[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
(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-(2-methoxyethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[(3R)-3-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164548154
2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[(3S)-3-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 167139020
2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-(3-methylpyrrolidin-1-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547957
N-(5-amino-2-methyl-3-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 170635790

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COCCn1nc(C)c(-c2cn3ncc(C(=O)Nc4cc(NC(=O)CN5C[C@H]6CC[C@@H]5C6)cnc4C)c3cn2)c1C.
What is the InChIKey of 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?
The InChIKey is YSXLYSSUCMUHAR-RBBKRZOGSA-N. The full InChI is InChI=1S/C29H35N9O3/c1-17-24(10-21(11-30-17)33-27(39)16-36-14-20-5-6-22(36)9-20)34-29(40)23-12-32-38-15-25(31-13-26(23)38)28-18(2)35-37(19(28)3)7-8-41-4/h10-13,15,20,22H,5-9,14,16H2,1-4H3,(H,33,39)(H,34,40)/t20-,22+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 557.66 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170635792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).