4-[5-[5-(methoxymethyl)-6-methyl-3-pyridinyl]-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile

C29H31N5O2 — CID 118647367

IUPAC4-[5-[5-(methoxymethyl)-6-methyl-3-pyridinyl]-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
SMILESCOCc1cc(-c2c(-c3ccc(C#N)cc3)cc(OC[C@@H]3CCCN(C)C3)c3cncn23)cnc1C
InChIInChI=1S/C29H31N5O2/c1-20-25(18-35-3)11-24(14-32-20)29-26(23-8-6-21(13-30)7-9-23)12-28(27-15-31-19-34(27)29)36-17-22-5-4-10-33(2)16-22/h6-9,11-12,14-15,19,22H,4-5,10,16-18H2,1-3H3/t22-/m1/s1
InChIKeyRLBNZKLEJXZADK-JOCHJYFZSA-N
MW481.60 g/mol
LogP5.11
Rot. Bonds7

About 4-[5-[5-(methoxymethyl)-6-methyl-3-pyridinyl]-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile

4-[5-[5-(methoxymethyl)-6-methyl-3-pyridinyl]-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile (PubChem CID 118647367) has the molecular formula C29H31N5O2 and a molecular weight of 481.60 g/mol. Its IUPAC name is 4-[5-[5-(methoxymethyl)-6-methyl-3-pyridinyl]-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-[5-(methoxymethyl)-6-methyl-3-pyridinyl]-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
PubChem CID118647367
Molecular FormulaC29H31N5O2
Molecular Weight481.60 g/mol
Exact Mass481.25
IUPAC Name4-[5-[5-(methoxymethyl)-6-methyl-3-pyridinyl]-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
SMILESCOCc1cc(-c2c(-c3ccc(C#N)cc3)cc(OC[C@@H]3CCCN(C)C3)c3cncn23)cnc1C
InChIInChI=1S/C29H31N5O2/c1-20-25(18-35-3)11-24(14-32-20)29-26(23-8-6-21(13-30)7-9-23)12-28(27-15-31-19-34(27)29)36-17-22-5-4-10-33(2)16-22/h6-9,11-12,14-15,19,22H,4-5,10,16-18H2,1-3H3/t22-/m1/s1
InChIKeyRLBNZKLEJXZADK-JOCHJYFZSA-N
XLogP5.11
TPSA75.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.60
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-[5-(methoxymethyl)-6-methyl-3-pyridinyl]-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
The IUPAC name of 4-[5-[5-(methoxymethyl)-6-methyl-3-pyridinyl]-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile (CID 118647367) is 4-[5-[5-(methoxymethyl)-6-methyl-3-pyridinyl]-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile.
What is the SMILES notation for 4-[5-[5-(methoxymethyl)-6-methyl-3-pyridinyl]-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
The canonical SMILES for 4-[5-[5-(methoxymethyl)-6-methyl-3-pyridinyl]-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile is COCc1cc(-c2c(-c3ccc(C#N)cc3)cc(OC[C@@H]3CCCN(C)C3)c3cncn23)cnc1C.
What is the InChIKey of 4-[5-[5-(methoxymethyl)-6-methyl-3-pyridinyl]-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
The InChIKey is RLBNZKLEJXZADK-JOCHJYFZSA-N. The full InChI is InChI=1S/C29H31N5O2/c1-20-25(18-35-3)11-24(14-32-20)29-26(23-8-6-21(13-30)7-9-23)12-28(27-15-31-19-34(27)29)36-17-22-5-4-10-33(2)16-22/h6-9,11-12,14-15,19,22H,4-5,10,16-18H2,1-3H3/t22-/m1/s1.
What are the key properties of 4-[5-[5-(methoxymethyl)-6-methyl-3-pyridinyl]-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
4-[5-[5-(methoxymethyl)-6-methyl-3-pyridinyl]-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile has a molecular weight of 481.60 g/mol, XLogP of 5.11, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[5-(methoxymethyl)-6-methyl-3-pyridinyl]-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile is sourced from PubChem (CID 118647367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).