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

C29H28N6O3 — CID 118647429

IUPAC4-[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
SMILESCN1CCC[C@@H](COc2cc(-c3ccc(C#N)cc3)c(-c3cnc4c(c3)OCC(=O)N4C)n3cncc23)C1
InChIInChI=1S/C29H28N6O3/c1-33-9-3-4-20(15-33)16-37-25-11-23(21-7-5-19(12-30)6-8-21)28(35-18-31-14-24(25)35)22-10-26-29(32-13-22)34(2)27(36)17-38-26/h5-8,10-11,13-14,18,20H,3-4,9,15-17H2,1-2H3/t20-/m1/s1
InChIKeyPKISYNWEJMKREU-HXUWFJFHSA-N
MW508.58 g/mol
LogP4.01
Rot. Bonds5

About 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

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 (PubChem CID 118647429) has the molecular formula C29H28N6O3 and a molecular weight of 508.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID118647429
Molecular FormulaC29H28N6O3
Molecular Weight508.58 g/mol
Exact Mass508.22
IUPAC Name4-[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
SMILESCN1CCC[C@@H](COc2cc(-c3ccc(C#N)cc3)c(-c3cnc4c(c3)OCC(=O)N4C)n3cncc23)C1
InChIInChI=1S/C29H28N6O3/c1-33-9-3-4-20(15-33)16-37-25-11-23(21-7-5-19(12-30)6-8-21)28(35-18-31-14-24(25)35)22-10-26-29(32-13-22)34(2)27(36)17-38-26/h5-8,10-11,13-14,18,20H,3-4,9,15-17H2,1-2H3/t20-/m1/s1
InChIKeyPKISYNWEJMKREU-HXUWFJFHSA-N
XLogP4.01
TPSA95.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.58
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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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-(5-amino-6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 118647425
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-[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-(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-[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-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile;1-methylpiperidine
CID 144996951
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-amino-6-[amino(cyclopropyl)amino]-3-pyridinyl]-8-methoxyimidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 144996918
4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(4-methyl-3-oxo-1,4-benzoxazin-7-yl)imidazo[1,5-a]pyrazin-6-yl]benzonitrile
CID 137470112

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CCC[C@@H](COc2cc(-c3ccc(C#N)cc3)c(-c3cnc4c(c3)OCC(=O)N4C)n3cncc23)C1.
What is the InChIKey of 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?
The InChIKey is PKISYNWEJMKREU-HXUWFJFHSA-N. The full InChI is InChI=1S/C29H28N6O3/c1-33-9-3-4-20(15-33)16-37-25-11-23(21-7-5-19(12-30)6-8-21)28(35-18-31-14-24(25)35)22-10-26-29(32-13-22)34(2)27(36)17-38-26/h5-8,10-11,13-14,18,20H,3-4,9,15-17H2,1-2H3/t20-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 508.58 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118647429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).