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

C20H18ClN9O — CID 129097475

IUPAC2-amino-N-[1-[8-chloro-5-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1-c1cnn(C)c1
InChIInChI=1S/C20H18ClN9O/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/h3-11H,1-2H3,(H2,22,27)(H,26,31)
InChIKeyQZONVMVRGVWVLG-UHFFFAOYSA-N
MW435.88 g/mol
LogP2.50
Rot. Bonds4

About 2-amino-N-[1-[8-chloro-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-5-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129097475) has the molecular formula C20H18ClN9O and a molecular weight of 435.88 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]pyrazolo[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]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129097475
Molecular FormulaC20H18ClN9O
Molecular Weight435.88 g/mol
Exact Mass435.13
IUPAC Name2-amino-N-[1-[8-chloro-5-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1-c1cnn(C)c1
InChIInChI=1S/C20H18ClN9O/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/h3-11H,1-2H3,(H2,22,27)(H,26,31)
InChIKeyQZONVMVRGVWVLG-UHFFFAOYSA-N
XLogP2.50
TPSA120.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.88
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-amino-N-[1-[8-chloro-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-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-5-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129097475) is 2-amino-N-[1-[8-chloro-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-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-5-(1-methylpyrazol-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(NC(=O)c1c(N)nn2cccnc12)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]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QZONVMVRGVWVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN9O/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/h3-11H,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]pyrazolo[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]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 435.88 g/mol, XLogP of 2.50, 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-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 129097475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).