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

C27H28N6O2 — CID 118647425

IUPAC4-[5-(5-amino-6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
SMILESCOc1ncc(-c2c(-c3ccc(C#N)cc3)cc(OC[C@@H]3CCCN(C)C3)c3cncn23)cc1N
InChIInChI=1S/C27H28N6O2/c1-32-9-3-4-19(15-32)16-35-25-11-22(20-7-5-18(12-28)6-8-20)26(33-17-30-14-24(25)33)21-10-23(29)27(34-2)31-13-21/h5-8,10-11,13-14,17,19H,3-4,9,15-16,29H2,1-2H3/t19-/m1/s1
InChIKeyKGEUYBDSIBFVRE-LJQANCHMSA-N
MW468.56 g/mol
LogP4.25
Rot. Bonds6

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

4-[5-(5-amino-6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile (PubChem CID 118647425) has the molecular formula C27H28N6O2 and a molecular weight of 468.56 g/mol. Its IUPAC name is 4-[5-(5-amino-6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-(5-amino-6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
PubChem CID118647425
Molecular FormulaC27H28N6O2
Molecular Weight468.56 g/mol
Exact Mass468.23
IUPAC Name4-[5-(5-amino-6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
SMILESCOc1ncc(-c2c(-c3ccc(C#N)cc3)cc(OC[C@@H]3CCCN(C)C3)c3cncn23)cc1N
InChIInChI=1S/C27H28N6O2/c1-32-9-3-4-19(15-32)16-35-25-11-22(20-7-5-18(12-28)6-8-20)26(33-17-30-14-24(25)33)21-10-23(29)27(34-2)31-13-21/h5-8,10-11,13-14,17,19H,3-4,9,15-16,29H2,1-2H3/t19-/m1/s1
InChIKeyKGEUYBDSIBFVRE-LJQANCHMSA-N
XLogP4.25
TPSA101.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

4-[5-(5,6-dimethyl-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 118647481
4-[5-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 118647497
4-[5-[3-fluoro-4-(hydroxymethyl)-5-methylphenyl]-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 118647536
4-[5-(4-methyl-3-oxopyrido[3,2-b][1,4]oxazin-7-yl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 118647429
4-[5-(5,6-dimethyl-3-pyridinyl)-8-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 118647388
4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)-8-[[(3R)-1-ethylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 118647354
4-[5-[5-amino-6-[amino(cyclopropyl)amino]-3-pyridinyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 144996918
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
4-[5-[6-(dimethylamino)-3-pyridinyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine
CID 144996966
4-[5-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine
CID 144996948
4-[5-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine
CID 144996951
4-[5-(1,2-dimethylbenzimidazol-5-yl)-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine
CID 144996910

Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-amino-6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
The IUPAC name of 4-[5-(5-amino-6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile (CID 118647425) is 4-[5-(5-amino-6-methoxy-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-amino-6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
The canonical SMILES for 4-[5-(5-amino-6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile is COc1ncc(-c2c(-c3ccc(C#N)cc3)cc(OC[C@@H]3CCCN(C)C3)c3cncn23)cc1N.
What is the InChIKey of 4-[5-(5-amino-6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
The InChIKey is KGEUYBDSIBFVRE-LJQANCHMSA-N. The full InChI is InChI=1S/C27H28N6O2/c1-32-9-3-4-19(15-32)16-35-25-11-22(20-7-5-18(12-28)6-8-20)26(33-17-30-14-24(25)33)21-10-23(29)27(34-2)31-13-21/h5-8,10-11,13-14,17,19H,3-4,9,15-16,29H2,1-2H3/t19-/m1/s1.
What are the key properties of 4-[5-(5-amino-6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
4-[5-(5-amino-6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile has a molecular weight of 468.56 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-amino-6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile is sourced from PubChem (CID 118647425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).