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

C30H29N5O2 — CID 118647403

IUPAC4-[5-(1-methyl-2-oxo-3H-indol-5-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
SMILESCN1CCC[C@@H](COc2cc(-c3ccc(C#N)cc3)c(-c3ccc4c(c3)CC(=O)N4C)n3cncc23)C1
InChIInChI=1S/C30H29N5O2/c1-33-11-3-4-21(17-33)18-37-28-14-25(22-7-5-20(15-31)6-8-22)30(35-19-32-16-27(28)35)23-9-10-26-24(12-23)13-29(36)34(26)2/h5-10,12,14,16,19,21H,3-4,11,13,17-18H2,1-2H3/t21-/m1/s1
InChIKeyDKRMRQWKKQQMRK-OAQYLSRUSA-N
MW491.60 g/mol
LogP4.78
Rot. Bonds5

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

4-[5-(1-methyl-2-oxo-3H-indol-5-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile (PubChem CID 118647403) has the molecular formula C30H29N5O2 and a molecular weight of 491.60 g/mol. Its IUPAC name is 4-[5-(1-methyl-2-oxo-3H-indol-5-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-(1-methyl-2-oxo-3H-indol-5-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
PubChem CID118647403
Molecular FormulaC30H29N5O2
Molecular Weight491.60 g/mol
Exact Mass491.23
IUPAC Name4-[5-(1-methyl-2-oxo-3H-indol-5-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
SMILESCN1CCC[C@@H](COc2cc(-c3ccc(C#N)cc3)c(-c3ccc4c(c3)CC(=O)N4C)n3cncc23)C1
InChIInChI=1S/C30H29N5O2/c1-33-11-3-4-21(17-33)18-37-28-14-25(22-7-5-20(15-31)6-8-22)30(35-19-32-16-27(28)35)23-9-10-26-24(12-23)13-29(36)34(26)2/h5-10,12,14,16,19,21H,3-4,11,13,17-18H2,1-2H3/t21-/m1/s1
InChIKeyDKRMRQWKKQQMRK-OAQYLSRUSA-N
XLogP4.78
TPSA73.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.60
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[5-(1-methyl-2-oxo-3H-indol-5-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-methyl-2-oxo-3H-indol-5-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
The IUPAC name of 4-[5-(1-methyl-2-oxo-3H-indol-5-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile (CID 118647403) is 4-[5-(1-methyl-2-oxo-3H-indol-5-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile.
What is the SMILES notation for 4-[5-(1-methyl-2-oxo-3H-indol-5-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
The canonical SMILES for 4-[5-(1-methyl-2-oxo-3H-indol-5-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile is CN1CCC[C@@H](COc2cc(-c3ccc(C#N)cc3)c(-c3ccc4c(c3)CC(=O)N4C)n3cncc23)C1.
What is the InChIKey of 4-[5-(1-methyl-2-oxo-3H-indol-5-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
The InChIKey is DKRMRQWKKQQMRK-OAQYLSRUSA-N. The full InChI is InChI=1S/C30H29N5O2/c1-33-11-3-4-21(17-33)18-37-28-14-25(22-7-5-20(15-31)6-8-22)30(35-19-32-16-27(28)35)23-9-10-26-24(12-23)13-29(36)34(26)2/h5-10,12,14,16,19,21H,3-4,11,13,17-18H2,1-2H3/t21-/m1/s1.
What are the key properties of 4-[5-(1-methyl-2-oxo-3H-indol-5-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
4-[5-(1-methyl-2-oxo-3H-indol-5-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile has a molecular weight of 491.60 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-methyl-2-oxo-3H-indol-5-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile is sourced from PubChem (CID 118647403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).