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

C22H22ClN9O — CID 129097526

IUPAC2-amino-N-[1-[8-chloro-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)c2cncn2c1N1CCC(C#N)CC1
InChIInChI=1S/C22H22ClN9O/c1-13(28-21(33)18-19(25)29-32-6-2-5-27-20(18)32)15-9-16(23)17-11-26-12-31(17)22(15)30-7-3-14(10-24)4-8-30/h2,5-6,9,11-14H,3-4,7-8H2,1H3,(H2,25,29)(H,28,33)
InChIKeyAOEXAZLIDZEMDW-UHFFFAOYSA-N
MW463.93 g/mol
LogP2.84
Rot. Bonds4

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

2-amino-N-[1-[8-chloro-5-(4-cyanopiperidin-1-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129097526) has the molecular formula C22H22ClN9O and a molecular weight of 463.93 g/mol. Its IUPAC name is 2-amino-N-[1-[8-chloro-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-[8-chloro-5-(4-cyanopiperidin-1-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129097526
Molecular FormulaC22H22ClN9O
Molecular Weight463.93 g/mol
Exact Mass463.16
IUPAC Name2-amino-N-[1-[8-chloro-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)c2cncn2c1N1CCC(C#N)CC1
InChIInChI=1S/C22H22ClN9O/c1-13(28-21(33)18-19(25)29-32-6-2-5-27-20(18)32)15-9-16(23)17-11-26-12-31(17)22(15)30-7-3-14(10-24)4-8-30/h2,5-6,9,11-14H,3-4,7-8H2,1H3,(H2,25,29)(H,28,33)
InChIKeyAOEXAZLIDZEMDW-UHFFFAOYSA-N
XLogP2.84
TPSA129.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.93
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-amino-N-[1-[8-chloro-5-(4-cyanopiperidin-1-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-(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-[8-chloro-5-(4-cyanopiperidin-1-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129097526) is 2-amino-N-[1-[8-chloro-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-[8-chloro-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-[8-chloro-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)c2cncn2c1N1CCC(C#N)CC1.
What is the InChIKey of 2-amino-N-[1-[8-chloro-5-(4-cyanopiperidin-1-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AOEXAZLIDZEMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN9O/c1-13(28-21(33)18-19(25)29-32-6-2-5-27-20(18)32)15-9-16(23)17-11-26-12-31(17)22(15)30-7-3-14(10-24)4-8-30/h2,5-6,9,11-14H,3-4,7-8H2,1H3,(H2,25,29)(H,28,33).
What are the key properties of 2-amino-N-[1-[8-chloro-5-(4-cyanopiperidin-1-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[1-[8-chloro-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 463.93 g/mol, XLogP of 2.84, 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-(4-cyanopiperidin-1-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129097526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).