3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide

C28H30N4O3 — CID 24812516

IUPAC3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCCC(c3nc(-c4cccc(OC)c4)c4ccccn34)C2)cc1
InChIInChI=1S/C28H30N4O3/c1-34-23-13-11-20(12-14-23)18-29-28(33)31-15-6-8-22(19-31)27-30-26(25-10-3-4-16-32(25)27)21-7-5-9-24(17-21)35-2/h3-5,7,9-14,16-17,22H,6,8,15,18-19H2,1-2H3,(H,29,33)
InChIKeySLERTLZMZDRRDM-UHFFFAOYSA-N
MW470.57 g/mol
LogP5.11
Rot. Bonds6

About 3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide

3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide (PubChem CID 24812516) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is 3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
PubChem CID24812516
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC Name3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCCC(c3nc(-c4cccc(OC)c4)c4ccccn34)C2)cc1
InChIInChI=1S/C28H30N4O3/c1-34-23-13-11-20(12-14-23)18-29-28(33)31-15-6-8-22(19-31)27-30-26(25-10-3-4-16-32(25)27)21-7-5-9-24(17-21)35-2/h3-5,7,9-14,16-17,22H,6,8,15,18-19H2,1-2H3,(H,29,33)
InChIKeySLERTLZMZDRRDM-UHFFFAOYSA-N
XLogP5.11
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.57
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide (CID 24812516) is 3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide is COc1ccc(CNC(=O)N2CCCC(c3nc(-c4cccc(OC)c4)c4ccccn34)C2)cc1.
What is the InChIKey of 3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is SLERTLZMZDRRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-34-23-13-11-20(12-14-23)18-29-28(33)31-15-6-8-22(19-31)27-30-26(25-10-3-4-16-32(25)27)21-7-5-9-24(17-21)35-2/h3-5,7,9-14,16-17,22H,6,8,15,18-19H2,1-2H3,(H,29,33).
What are the key properties of 3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide?
3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 470.57 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methoxyphenyl)imidazo[1,5-a]pyridin-3-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 24812516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).