2-amino-N-[1-(8-cyano-5-phenylimidazo[1,5-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H18N8O — CID 129097621

IUPAC2-amino-N-[1-(8-cyano-5-phenylimidazo[1,5-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1c(N)nn2cccnc12)c1cc(C#N)c2cncn2c1-c1ccccc1
InChIInChI=1S/C23H18N8O/c1-14(28-23(32)19-21(25)29-31-9-5-8-27-22(19)31)17-10-16(11-24)18-12-26-13-30(18)20(17)15-6-3-2-4-7-15/h2-10,12-14H,1H3,(H2,25,29)(H,28,32)
InChIKeyYGHNNAYBYRGJKY-UHFFFAOYSA-N
MW422.45 g/mol
LogP2.99
Rot. Bonds4

About 2-amino-N-[1-(8-cyano-5-phenylimidazo[1,5-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[1-(8-cyano-5-phenylimidazo[1,5-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129097621) has the molecular formula C23H18N8O and a molecular weight of 422.45 g/mol. Its IUPAC name is 2-amino-N-[1-(8-cyano-5-phenylimidazo[1,5-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-(8-cyano-5-phenylimidazo[1,5-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129097621
Molecular FormulaC23H18N8O
Molecular Weight422.45 g/mol
Exact Mass422.16
IUPAC Name2-amino-N-[1-(8-cyano-5-phenylimidazo[1,5-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1c(N)nn2cccnc12)c1cc(C#N)c2cncn2c1-c1ccccc1
InChIInChI=1S/C23H18N8O/c1-14(28-23(32)19-21(25)29-31-9-5-8-27-22(19)31)17-10-16(11-24)18-12-26-13-30(18)20(17)15-6-3-2-4-7-15/h2-10,12-14H,1H3,(H2,25,29)(H,28,32)
InChIKeyYGHNNAYBYRGJKY-UHFFFAOYSA-N
XLogP2.99
TPSA126.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(8-cyano-5-phenylimidazo[1,5-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[1-(8-cyano-5-phenylimidazo[1,5-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129097621) is 2-amino-N-[1-(8-cyano-5-phenylimidazo[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-cyano-5-phenylimidazo[1,5-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[1-(8-cyano-5-phenylimidazo[1,5-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(NC(=O)c1c(N)nn2cccnc12)c1cc(C#N)c2cncn2c1-c1ccccc1.
What is the InChIKey of 2-amino-N-[1-(8-cyano-5-phenylimidazo[1,5-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YGHNNAYBYRGJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N8O/c1-14(28-23(32)19-21(25)29-31-9-5-8-27-22(19)31)17-10-16(11-24)18-12-26-13-30(18)20(17)15-6-3-2-4-7-15/h2-10,12-14H,1H3,(H2,25,29)(H,28,32).
What are the key properties of 2-amino-N-[1-(8-cyano-5-phenylimidazo[1,5-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[1-(8-cyano-5-phenylimidazo[1,5-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 422.45 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(8-cyano-5-phenylimidazo[1,5-a]pyridin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129097621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).