4-[8-[(1-ethylpiperidin-3-yl)methoxy]-5-(1-methyl-2-oxo-3H-indol-5-yl)imidazo[1,5-a]pyridin-6-yl]benzonitrile

C31H31N5O2 — CID 118647477

IUPAC4-[8-[(1-ethylpiperidin-3-yl)methoxy]-5-(1-methyl-2-oxo-3H-indol-5-yl)imidazo[1,5-a]pyridin-6-yl]benzonitrile
SMILESCCN1CCCC(COc2cc(-c3ccc(C#N)cc3)c(-c3ccc4c(c3)CC(=O)N4C)n3cncc23)C1
InChIInChI=1S/C31H31N5O2/c1-3-35-12-4-5-22(18-35)19-38-29-15-26(23-8-6-21(16-32)7-9-23)31(36-20-33-17-28(29)36)24-10-11-27-25(13-24)14-30(37)34(27)2/h6-11,13,15,17,20,22H,3-5,12,14,18-19H2,1-2H3
InChIKeyDKZAIVNGHQSOSQ-UHFFFAOYSA-N
MW505.62 g/mol
LogP5.17
Rot. Bonds6

About 4-[8-[(1-ethylpiperidin-3-yl)methoxy]-5-(1-methyl-2-oxo-3H-indol-5-yl)imidazo[1,5-a]pyridin-6-yl]benzonitrile

4-[8-[(1-ethylpiperidin-3-yl)methoxy]-5-(1-methyl-2-oxo-3H-indol-5-yl)imidazo[1,5-a]pyridin-6-yl]benzonitrile (PubChem CID 118647477) has the molecular formula C31H31N5O2 and a molecular weight of 505.62 g/mol. Its IUPAC name is 4-[8-[(1-ethylpiperidin-3-yl)methoxy]-5-(1-methyl-2-oxo-3H-indol-5-yl)imidazo[1,5-a]pyridin-6-yl]benzonitrile.

Molecular Properties

Compound Name4-[8-[(1-ethylpiperidin-3-yl)methoxy]-5-(1-methyl-2-oxo-3H-indol-5-yl)imidazo[1,5-a]pyridin-6-yl]benzonitrile
PubChem CID118647477
Molecular FormulaC31H31N5O2
Molecular Weight505.62 g/mol
Exact Mass505.25
IUPAC Name4-[8-[(1-ethylpiperidin-3-yl)methoxy]-5-(1-methyl-2-oxo-3H-indol-5-yl)imidazo[1,5-a]pyridin-6-yl]benzonitrile
SMILESCCN1CCCC(COc2cc(-c3ccc(C#N)cc3)c(-c3ccc4c(c3)CC(=O)N4C)n3cncc23)C1
InChIInChI=1S/C31H31N5O2/c1-3-35-12-4-5-22(18-35)19-38-29-15-26(23-8-6-21(16-32)7-9-23)31(36-20-33-17-28(29)36)24-10-11-27-25(13-24)14-30(37)34(27)2/h6-11,13,15,17,20,22H,3-5,12,14,18-19H2,1-2H3
InChIKeyDKZAIVNGHQSOSQ-UHFFFAOYSA-N
XLogP5.17
TPSA73.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.62
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[8-[(1-ethylpiperidin-3-yl)methoxy]-5-(1-methyl-2-oxo-3H-indol-5-yl)imidazo[1,5-a]pyridin-6-yl]benzonitrile?
The IUPAC name of 4-[8-[(1-ethylpiperidin-3-yl)methoxy]-5-(1-methyl-2-oxo-3H-indol-5-yl)imidazo[1,5-a]pyridin-6-yl]benzonitrile (CID 118647477) is 4-[8-[(1-ethylpiperidin-3-yl)methoxy]-5-(1-methyl-2-oxo-3H-indol-5-yl)imidazo[1,5-a]pyridin-6-yl]benzonitrile.
What is the SMILES notation for 4-[8-[(1-ethylpiperidin-3-yl)methoxy]-5-(1-methyl-2-oxo-3H-indol-5-yl)imidazo[1,5-a]pyridin-6-yl]benzonitrile?
The canonical SMILES for 4-[8-[(1-ethylpiperidin-3-yl)methoxy]-5-(1-methyl-2-oxo-3H-indol-5-yl)imidazo[1,5-a]pyridin-6-yl]benzonitrile is CCN1CCCC(COc2cc(-c3ccc(C#N)cc3)c(-c3ccc4c(c3)CC(=O)N4C)n3cncc23)C1.
What is the InChIKey of 4-[8-[(1-ethylpiperidin-3-yl)methoxy]-5-(1-methyl-2-oxo-3H-indol-5-yl)imidazo[1,5-a]pyridin-6-yl]benzonitrile?
The InChIKey is DKZAIVNGHQSOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N5O2/c1-3-35-12-4-5-22(18-35)19-38-29-15-26(23-8-6-21(16-32)7-9-23)31(36-20-33-17-28(29)36)24-10-11-27-25(13-24)14-30(37)34(27)2/h6-11,13,15,17,20,22H,3-5,12,14,18-19H2,1-2H3.
What are the key properties of 4-[8-[(1-ethylpiperidin-3-yl)methoxy]-5-(1-methyl-2-oxo-3H-indol-5-yl)imidazo[1,5-a]pyridin-6-yl]benzonitrile?
4-[8-[(1-ethylpiperidin-3-yl)methoxy]-5-(1-methyl-2-oxo-3H-indol-5-yl)imidazo[1,5-a]pyridin-6-yl]benzonitrile has a molecular weight of 505.62 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[(1-ethylpiperidin-3-yl)methoxy]-5-(1-methyl-2-oxo-3H-indol-5-yl)imidazo[1,5-a]pyridin-6-yl]benzonitrile is sourced from PubChem (CID 118647477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).