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

C22H21Cl2N9O — CID 129097524

IUPAC2-amino-N-[1-[1,8-dichloro-5-(4-cyanopiperidin-1-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2c(Cl)ncn2c1N1CCC(C#N)CC1
InChIInChI=1S/C22H21Cl2N9O/c1-12(29-21(34)16-19(26)30-33-6-2-5-27-20(16)33)14-9-15(23)17-18(24)28-11-32(17)22(14)31-7-3-13(10-25)4-8-31/h2,5-6,9,11-13H,3-4,7-8H2,1H3,(H2,26,30)(H,29,34)
InChIKeyQKBWUUCJMYVSJP-UHFFFAOYSA-N
MW498.38 g/mol
LogP3.50
Rot. Bonds4

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

2-amino-N-[1-[1,8-dichloro-5-(4-cyanopiperidin-1-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129097524) has the molecular formula C22H21Cl2N9O and a molecular weight of 498.38 g/mol. Its IUPAC name is 2-amino-N-[1-[1,8-dichloro-5-(4-cyanopiperidin-1-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-[1,8-dichloro-5-(4-cyanopiperidin-1-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129097524
Molecular FormulaC22H21Cl2N9O
Molecular Weight498.38 g/mol
Exact Mass497.12
IUPAC Name2-amino-N-[1-[1,8-dichloro-5-(4-cyanopiperidin-1-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2c(Cl)ncn2c1N1CCC(C#N)CC1
InChIInChI=1S/C22H21Cl2N9O/c1-12(29-21(34)16-19(26)30-33-6-2-5-27-20(16)33)14-9-15(23)17-18(24)28-11-32(17)22(14)31-7-3-13(10-25)4-8-31/h2,5-6,9,11-13H,3-4,7-8H2,1H3,(H2,26,30)(H,29,34)
InChIKeyQKBWUUCJMYVSJP-UHFFFAOYSA-N
XLogP3.50
TPSA129.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.38
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[1,8-dichloro-5-(4-cyanopiperidin-1-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[1-[1,8-dichloro-5-(4-cyanopiperidin-1-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129097524) is 2-amino-N-[1-[1,8-dichloro-5-(4-cyanopiperidin-1-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-[1,8-dichloro-5-(4-cyanopiperidin-1-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[1-[1,8-dichloro-5-(4-cyanopiperidin-1-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)c2c(Cl)ncn2c1N1CCC(C#N)CC1.
What is the InChIKey of 2-amino-N-[1-[1,8-dichloro-5-(4-cyanopiperidin-1-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QKBWUUCJMYVSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N9O/c1-12(29-21(34)16-19(26)30-33-6-2-5-27-20(16)33)14-9-15(23)17-18(24)28-11-32(17)22(14)31-7-3-13(10-25)4-8-31/h2,5-6,9,11-13H,3-4,7-8H2,1H3,(H2,26,30)(H,29,34).
What are the key properties of 2-amino-N-[1-[1,8-dichloro-5-(4-cyanopiperidin-1-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[1-[1,8-dichloro-5-(4-cyanopiperidin-1-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 498.38 g/mol, XLogP of 3.50, 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-[1,8-dichloro-5-(4-cyanopiperidin-1-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129097524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).