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

C21H20ClN9O — CID 129097699

IUPAC2-amino-N-[1-[8-chloro-3-methyl-5-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ncc2c(Cl)cc(C(C)NC(=O)c3c(N)nn4cccnc34)c(-c3cnn(C)c3)n12
InChIInChI=1S/C21H20ClN9O/c1-11(27-21(32)17-19(23)28-30-6-4-5-24-20(17)30)14-7-15(22)16-9-25-12(2)31(16)18(14)13-8-26-29(3)10-13/h4-11H,1-3H3,(H2,23,28)(H,27,32)
InChIKeyNZHVVRNBSUWWOW-UHFFFAOYSA-N
MW449.91 g/mol
LogP2.81
Rot. Bonds4

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

2-amino-N-[1-[8-chloro-3-methyl-5-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129097699) has the molecular formula C21H20ClN9O and a molecular weight of 449.91 g/mol. Its IUPAC name is 2-amino-N-[1-[8-chloro-3-methyl-5-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-[8-chloro-3-methyl-5-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129097699
Molecular FormulaC21H20ClN9O
Molecular Weight449.91 g/mol
Exact Mass449.15
IUPAC Name2-amino-N-[1-[8-chloro-3-methyl-5-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ncc2c(Cl)cc(C(C)NC(=O)c3c(N)nn4cccnc34)c(-c3cnn(C)c3)n12
InChIInChI=1S/C21H20ClN9O/c1-11(27-21(32)17-19(23)28-30-6-4-5-24-20(17)30)14-7-15(22)16-9-25-12(2)31(16)18(14)13-8-26-29(3)10-13/h4-11H,1-3H3,(H2,23,28)(H,27,32)
InChIKeyNZHVVRNBSUWWOW-UHFFFAOYSA-N
XLogP2.81
TPSA120.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.91
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[8-chloro-3-methyl-5-(1-methylpyrazol-4-yl)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-3-methyl-5-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129097699) is 2-amino-N-[1-[8-chloro-3-methyl-5-(1-methylpyrazol-4-yl)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-3-methyl-5-(1-methylpyrazol-4-yl)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-3-methyl-5-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ncc2c(Cl)cc(C(C)NC(=O)c3c(N)nn4cccnc34)c(-c3cnn(C)c3)n12.
What is the InChIKey of 2-amino-N-[1-[8-chloro-3-methyl-5-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NZHVVRNBSUWWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN9O/c1-11(27-21(32)17-19(23)28-30-6-4-5-24-20(17)30)14-7-15(22)16-9-25-12(2)31(16)18(14)13-8-26-29(3)10-13/h4-11H,1-3H3,(H2,23,28)(H,27,32).
What are the key properties of 2-amino-N-[1-[8-chloro-3-methyl-5-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[1-[8-chloro-3-methyl-5-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 449.91 g/mol, XLogP of 2.81, 4 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-3-methyl-5-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129097699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).