7-chloro-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-1-(3-methoxyphenyl)imidazo[1,5-a]pyridine

C29H29ClN4O — CID 11155974

IUPAC7-chloro-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-1-(3-methoxyphenyl)imidazo[1,5-a]pyridine
SMILESCOc1cccc(-c2nc(C3CCN(CCc4c[nH]c5ccccc45)CC3)n3ccc(Cl)cc23)c1
InChIInChI=1S/C29H29ClN4O/c1-35-24-6-4-5-21(17-24)28-27-18-23(30)12-16-34(27)29(32-28)20-9-13-33(14-10-20)15-11-22-19-31-26-8-3-2-7-25(22)26/h2-8,12,16-20,31H,9-11,13-15H2,1H3
InChIKeyONNHMOUYOSLKBN-UHFFFAOYSA-N
MW485.03 g/mol
LogP6.57
Rot. Bonds6

About 7-chloro-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-1-(3-methoxyphenyl)imidazo[1,5-a]pyridine

7-chloro-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-1-(3-methoxyphenyl)imidazo[1,5-a]pyridine (PubChem CID 11155974) has the molecular formula C29H29ClN4O and a molecular weight of 485.03 g/mol. Its IUPAC name is 7-chloro-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-1-(3-methoxyphenyl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name7-chloro-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-1-(3-methoxyphenyl)imidazo[1,5-a]pyridine
PubChem CID11155974
Molecular FormulaC29H29ClN4O
Molecular Weight485.03 g/mol
Exact Mass484.20
IUPAC Name7-chloro-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-1-(3-methoxyphenyl)imidazo[1,5-a]pyridine
SMILESCOc1cccc(-c2nc(C3CCN(CCc4c[nH]c5ccccc45)CC3)n3ccc(Cl)cc23)c1
InChIInChI=1S/C29H29ClN4O/c1-35-24-6-4-5-21(17-24)28-27-18-23(30)12-16-34(27)29(32-28)20-9-13-33(14-10-20)15-11-22-19-31-26-8-3-2-7-25(22)26/h2-8,12,16-20,31H,9-11,13-15H2,1H3
InChIKeyONNHMOUYOSLKBN-UHFFFAOYSA-N
XLogP6.57
TPSA45.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.03
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-1-(3-methoxyphenyl)imidazo[1,5-a]pyridine?
The IUPAC name of 7-chloro-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-1-(3-methoxyphenyl)imidazo[1,5-a]pyridine (CID 11155974) is 7-chloro-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-1-(3-methoxyphenyl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 7-chloro-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-1-(3-methoxyphenyl)imidazo[1,5-a]pyridine?
The canonical SMILES for 7-chloro-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-1-(3-methoxyphenyl)imidazo[1,5-a]pyridine is COc1cccc(-c2nc(C3CCN(CCc4c[nH]c5ccccc45)CC3)n3ccc(Cl)cc23)c1.
What is the InChIKey of 7-chloro-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-1-(3-methoxyphenyl)imidazo[1,5-a]pyridine?
The InChIKey is ONNHMOUYOSLKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29ClN4O/c1-35-24-6-4-5-21(17-24)28-27-18-23(30)12-16-34(27)29(32-28)20-9-13-33(14-10-20)15-11-22-19-31-26-8-3-2-7-25(22)26/h2-8,12,16-20,31H,9-11,13-15H2,1H3.
What are the key properties of 7-chloro-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-1-(3-methoxyphenyl)imidazo[1,5-a]pyridine?
7-chloro-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-1-(3-methoxyphenyl)imidazo[1,5-a]pyridine has a molecular weight of 485.03 g/mol, XLogP of 6.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-1-(3-methoxyphenyl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 11155974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).