3-cyclohexyl-N-(imidazo[1,5-a]pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide

C22H23N5O — CID 110609993

IUPAC3-cyclohexyl-N-(imidazo[1,5-a]pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(NCc1ncc2ccccn12)c1nc(C2CCCCC2)n2ccccc12
InChIInChI=1S/C22H23N5O/c28-22(24-15-19-23-14-17-10-4-6-12-26(17)19)20-18-11-5-7-13-27(18)21(25-20)16-8-2-1-3-9-16/h4-7,10-14,16H,1-3,8-9,15H2,(H,24,28)
InChIKeyNRFPBRTXMVOIQT-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.96
Rot. Bonds4

About 3-cyclohexyl-N-(imidazo[1,5-a]pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide

3-cyclohexyl-N-(imidazo[1,5-a]pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 110609993) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-cyclohexyl-N-(imidazo[1,5-a]pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(imidazo[1,5-a]pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID110609993
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name3-cyclohexyl-N-(imidazo[1,5-a]pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(NCc1ncc2ccccn12)c1nc(C2CCCCC2)n2ccccc12
InChIInChI=1S/C22H23N5O/c28-22(24-15-19-23-14-17-10-4-6-12-26(17)19)20-18-11-5-7-13-27(18)21(25-20)16-8-2-1-3-9-16/h4-7,10-14,16H,1-3,8-9,15H2,(H,24,28)
InChIKeyNRFPBRTXMVOIQT-UHFFFAOYSA-N
XLogP3.96
TPSA63.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(imidazo[1,5-a]pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-cyclohexyl-N-(imidazo[1,5-a]pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide (CID 110609993) is 3-cyclohexyl-N-(imidazo[1,5-a]pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-cyclohexyl-N-(imidazo[1,5-a]pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-cyclohexyl-N-(imidazo[1,5-a]pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide is O=C(NCc1ncc2ccccn12)c1nc(C2CCCCC2)n2ccccc12.
What is the InChIKey of 3-cyclohexyl-N-(imidazo[1,5-a]pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is NRFPBRTXMVOIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c28-22(24-15-19-23-14-17-10-4-6-12-26(17)19)20-18-11-5-7-13-27(18)21(25-20)16-8-2-1-3-9-16/h4-7,10-14,16H,1-3,8-9,15H2,(H,24,28).
What are the key properties of 3-cyclohexyl-N-(imidazo[1,5-a]pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide?
3-cyclohexyl-N-(imidazo[1,5-a]pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(imidazo[1,5-a]pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 110609993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).