2-amino-N-[1-[8-chloro-5-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H20ClN9O — CID 137213260

IUPAC2-amino-N-[1-[8-chloro-5-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1c(N)nn2c1NCC=C2)c1cc(Cl)c2cncn2c1-c1cnn(C)c1
InChIInChI=1S/C20H20ClN9O/c1-11(26-20(31)16-18(22)27-30-5-3-4-24-19(16)30)13-6-14(21)15-8-23-10-29(15)17(13)12-7-25-28(2)9-12/h3,5-11,24H,4H2,1-2H3,(H2,22,27)(H,26,31)
InChIKeyHUNHPLAUMDJJRH-UHFFFAOYSA-N
MW437.90 g/mol
LogP2.55
Rot. Bonds4

About 2-amino-N-[1-[8-chloro-5-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[1-[8-chloro-5-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137213260) has the molecular formula C20H20ClN9O and a molecular weight of 437.90 g/mol. Its IUPAC name is 2-amino-N-[1-[8-chloro-5-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-[8-chloro-5-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137213260
Molecular FormulaC20H20ClN9O
Molecular Weight437.90 g/mol
Exact Mass437.15
IUPAC Name2-amino-N-[1-[8-chloro-5-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1c(N)nn2c1NCC=C2)c1cc(Cl)c2cncn2c1-c1cnn(C)c1
InChIInChI=1S/C20H20ClN9O/c1-11(26-20(31)16-18(22)27-30-5-3-4-24-19(16)30)13-6-14(21)15-8-23-10-29(15)17(13)12-7-25-28(2)9-12/h3,5-11,24H,4H2,1-2H3,(H2,22,27)(H,26,31)
InChIKeyHUNHPLAUMDJJRH-UHFFFAOYSA-N
XLogP2.55
TPSA120.09 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.90
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

2-amino-N-[1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-propan-2-ylquinazolin-2-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 144824221
2-amino-N-[1-[3-(3-fluorophenyl)-5-[2-(1-methylpyrazol-4-yl)ethynyl]quinoxalin-2-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 145057176
2-amino-N-[1-[5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-4-oxo-3-phenylchromen-2-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 145057175
2-amino-N-[1-[8-chloro-5-(4-methylsulfonylphenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 129097986
2-amino-N-[1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylfuro[2,3-d]pyrimidin-2-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 145057514
2-amino-N-[1-[8-chloro-5-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129097895
2-amino-N-[1-[8-chloro-5-(4-fluoropiperidin-1-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 129097891
2-amino-N-[1-(8-amino-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
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2-amino-N-[1-[8-[2-(1-methylindol-3-yl)ethynyl]-1-oxo-2-phenylisoquinolin-3-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 144824481
2-amino-N-[(1S)-1-[8-chloro-5-[(2S)-2-methyl-1,1-dioxo-1,4-thiazinan-4-yl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[(1S)-1-[8-chloro-5-[(2R)-2-methyl-1,1-dioxo-1,4-thiazinan-4-yl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 161220493
2-amino-N-[1-[8-chloro-5-[(2S)-2-methylpyrrolidin-1-yl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 129097454
2-amino-N-[1-[8-chloro-5-[(3S)-3-hydroxypiperidin-1-yl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 146232796

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[8-chloro-5-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[1-[8-chloro-5-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137213260) is 2-amino-N-[1-[8-chloro-5-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[1-[8-chloro-5-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[1-[8-chloro-5-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(NC(=O)c1c(N)nn2c1NCC=C2)c1cc(Cl)c2cncn2c1-c1cnn(C)c1.
What is the InChIKey of 2-amino-N-[1-[8-chloro-5-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HUNHPLAUMDJJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN9O/c1-11(26-20(31)16-18(22)27-30-5-3-4-24-19(16)30)13-6-14(21)15-8-23-10-29(15)17(13)12-7-25-28(2)9-12/h3,5-11,24H,4H2,1-2H3,(H2,22,27)(H,26,31).
What are the key properties of 2-amino-N-[1-[8-chloro-5-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[1-[8-chloro-5-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 437.90 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[8-chloro-5-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137213260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).