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

C28H25N5O2 — CID 118647534

IUPAC4-[5-(1-methyl-2-oxo-3H-indol-5-yl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
SMILESCN1C(=O)Cc2cc(-c3c(-c4ccc(C#N)cc4)cc(OC[C@@H]4CCNC4)c4cncn34)ccc21
InChIInChI=1S/C28H25N5O2/c1-32-24-7-6-21(10-22(24)11-27(32)34)28-23(20-4-2-18(13-29)3-5-20)12-26(25-15-31-17-33(25)28)35-16-19-8-9-30-14-19/h2-7,10,12,15,17,19,30H,8-9,11,14,16H2,1H3/t19-/m1/s1
InChIKeySPSDCRJQODHUFU-LJQANCHMSA-N
MW463.54 g/mol
LogP4.05
Rot. Bonds5

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

4-[5-(1-methyl-2-oxo-3H-indol-5-yl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile (PubChem CID 118647534) has the molecular formula C28H25N5O2 and a molecular weight of 463.54 g/mol. Its IUPAC name is 4-[5-(1-methyl-2-oxo-3H-indol-5-yl)-8-[[(3R)-pyrrolidin-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)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
PubChem CID118647534
Molecular FormulaC28H25N5O2
Molecular Weight463.54 g/mol
Exact Mass463.20
IUPAC Name4-[5-(1-methyl-2-oxo-3H-indol-5-yl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
SMILESCN1C(=O)Cc2cc(-c3c(-c4ccc(C#N)cc4)cc(OC[C@@H]4CCNC4)c4cncn34)ccc21
InChIInChI=1S/C28H25N5O2/c1-32-24-7-6-21(10-22(24)11-27(32)34)28-23(20-4-2-18(13-29)3-5-20)12-26(25-15-31-17-33(25)28)35-16-19-8-9-30-14-19/h2-7,10,12,15,17,19,30H,8-9,11,14,16H2,1H3/t19-/m1/s1
InChIKeySPSDCRJQODHUFU-LJQANCHMSA-N
XLogP4.05
TPSA82.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-(1H-imidazol-2-ylmethylidene)-2,3-dihydro-1H-indol-2-one
CID 23647565
5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-[1-(1H-imidazol-2-yl)-2-methylpropan-2-yl]-1,3-dihydroindol-2-one
CID 44412832
5-(5-((S)-2-amino-3-(1H-indol-3-yl)propoxy)pyridin-3-yl)-3-(1H-imidazol-2-yl)indolin-2-one
CID 45482053
2-ethyl-5-[2-methyl-8-[(2-methylphenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]-3H-isoindol-1-one;hydrochloride
CID 145974463
3-fluoro-4-[5-(4-methylphenyl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 118647437
4-[5-(2-fluoro-4-methylphenyl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 118647441
1-[[4-[6-(4-cyanophenyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-5-yl]-2-fluorophenyl]methyl]-1,3,3-trimethylurea
CID 118647490
6-(4-fluorophenyl)-5-(4-methylphenyl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridine
CID 118647564
2-fluoro-4-[5-(4-methylphenyl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 118647572
N-[8-[(4-cyanophenyl)methoxy]-2-ethylimidazo[1,2-a]pyridin-3-yl]-N,4-dimethylbenzamide
CID 49789241
N-[8-[(4-cyanophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-3-cyclopentyl-N-methylpropanamide
CID 49790261
N-ethyl-4-[2-methyl-8-[(2-methylphenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]benzamide;hydrochloride
CID 145978536

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-methyl-2-oxo-3H-indol-5-yl)-8-[[(3R)-pyrrolidin-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)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile (CID 118647534) is 4-[5-(1-methyl-2-oxo-3H-indol-5-yl)-8-[[(3R)-pyrrolidin-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)-pyrrolidin-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)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile is CN1C(=O)Cc2cc(-c3c(-c4ccc(C#N)cc4)cc(OC[C@@H]4CCNC4)c4cncn34)ccc21.
What is the InChIKey of 4-[5-(1-methyl-2-oxo-3H-indol-5-yl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
The InChIKey is SPSDCRJQODHUFU-LJQANCHMSA-N. The full InChI is InChI=1S/C28H25N5O2/c1-32-24-7-6-21(10-22(24)11-27(32)34)28-23(20-4-2-18(13-29)3-5-20)12-26(25-15-31-17-33(25)28)35-16-19-8-9-30-14-19/h2-7,10,12,15,17,19,30H,8-9,11,14,16H2,1H3/t19-/m1/s1.
What are the key properties of 4-[5-(1-methyl-2-oxo-3H-indol-5-yl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
4-[5-(1-methyl-2-oxo-3H-indol-5-yl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile has a molecular weight of 463.54 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 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)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile is sourced from PubChem (CID 118647534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).