2-amino-N-[1-[8-chloro-5-(5-methoxy-3-pyridinyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H19ClN8O2 — CID 129098091

IUPAC2-amino-N-[1-[8-chloro-5-(5-methoxy-3-pyridinyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cncc(-c2c(C(C)NC(=O)c3c(N)nn4cccnc34)cc(Cl)c3cncn23)c1
InChIInChI=1S/C22H19ClN8O2/c1-12(28-22(32)18-20(24)29-31-5-3-4-27-21(18)31)15-7-16(23)17-10-26-11-30(17)19(15)13-6-14(33-2)9-25-8-13/h3-12H,1-2H3,(H2,24,29)(H,28,32)
InChIKeyYAUVGWJWACGFSO-UHFFFAOYSA-N
MW462.90 g/mol
LogP3.17
Rot. Bonds5

About 2-amino-N-[1-[8-chloro-5-(5-methoxy-3-pyridinyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[1-[8-chloro-5-(5-methoxy-3-pyridinyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129098091) has the molecular formula C22H19ClN8O2 and a molecular weight of 462.90 g/mol. Its IUPAC name is 2-amino-N-[1-[8-chloro-5-(5-methoxy-3-pyridinyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-[8-chloro-5-(5-methoxy-3-pyridinyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129098091
Molecular FormulaC22H19ClN8O2
Molecular Weight462.90 g/mol
Exact Mass462.13
IUPAC Name2-amino-N-[1-[8-chloro-5-(5-methoxy-3-pyridinyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cncc(-c2c(C(C)NC(=O)c3c(N)nn4cccnc34)cc(Cl)c3cncn23)c1
InChIInChI=1S/C22H19ClN8O2/c1-12(28-22(32)18-20(24)29-31-5-3-4-27-21(18)31)15-7-16(23)17-10-26-11-30(17)19(15)13-6-14(33-2)9-25-8-13/h3-12H,1-2H3,(H2,24,29)(H,28,32)
InChIKeyYAUVGWJWACGFSO-UHFFFAOYSA-N
XLogP3.17
TPSA124.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.90
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-amino-N-[1-[8-chloro-5-(5-methoxy-3-pyridinyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-(3-(5-Chloro-2-(difluoromethoxy)phenyl)-1-(2-(4-((2-cyanoethyl)(methyl)amino)piperidin-1-yl)-2-oxoethyl)-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522534
N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 49856845
1-[(3R)-3-[4-amino-3-[3-chloro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 130203720
1-[5-[2-(3,5-dichloro-4-pyridinyl)acetyl]-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 25115039
N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70496162
N-[5-(5-chloro-2-methoxyphenyl)-1-(2-hydroxyethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70497069
2-amino-N-[1-(2-amino-2-oxoethyl)-5-(5-chloro-2-methoxyphenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70497465
N-[3-(5-chloro-2-methoxyphenyl)-1-[2-(3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70497692
2-amino-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid [3-(5-chloro-2-difluoromethoxy-phenyl)-1-piperidin-4-yl-1H-pyrazol-4-yl]-amide
CID 92136008
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[[2-(dimethylamino)-2-oxoethyl]amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522313
N-[1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522314
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[methyl(oxetan-3-yl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522315

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[8-chloro-5-(5-methoxy-3-pyridinyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[1-[8-chloro-5-(5-methoxy-3-pyridinyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129098091) is 2-amino-N-[1-[8-chloro-5-(5-methoxy-3-pyridinyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[1-[8-chloro-5-(5-methoxy-3-pyridinyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[1-[8-chloro-5-(5-methoxy-3-pyridinyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cncc(-c2c(C(C)NC(=O)c3c(N)nn4cccnc34)cc(Cl)c3cncn23)c1.
What is the InChIKey of 2-amino-N-[1-[8-chloro-5-(5-methoxy-3-pyridinyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YAUVGWJWACGFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN8O2/c1-12(28-22(32)18-20(24)29-31-5-3-4-27-21(18)31)15-7-16(23)17-10-26-11-30(17)19(15)13-6-14(33-2)9-25-8-13/h3-12H,1-2H3,(H2,24,29)(H,28,32).
What are the key properties of 2-amino-N-[1-[8-chloro-5-(5-methoxy-3-pyridinyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[1-[8-chloro-5-(5-methoxy-3-pyridinyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 462.90 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[8-chloro-5-(5-methoxy-3-pyridinyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129098091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).