4-[5-chloro-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile

C19H17ClN4O — CID 150652221

IUPAC4-[5-chloro-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc(OC[C@@H]3CCNC3)c3cncn3c2Cl)cc1
InChIInChI=1S/C19H17ClN4O/c20-19-16(15-3-1-13(8-21)2-4-15)7-18(17-10-23-12-24(17)19)25-11-14-5-6-22-9-14/h1-4,7,10,12,14,22H,5-6,9,11H2/t14-/m1/s1
InChIKeyJCCSLFXOABVMKC-CQSZACIVSA-N
MW352.83 g/mol
LogP3.51
Rot. Bonds4

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

4-[5-chloro-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile (PubChem CID 150652221) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is 4-[5-chloro-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-chloro-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
PubChem CID150652221
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name4-[5-chloro-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc(OC[C@@H]3CCNC3)c3cncn3c2Cl)cc1
InChIInChI=1S/C19H17ClN4O/c20-19-16(15-3-1-13(8-21)2-4-15)7-18(17-10-23-12-24(17)19)25-11-14-5-6-22-9-14/h1-4,7,10,12,14,22H,5-6,9,11H2/t14-/m1/s1
InChIKeyJCCSLFXOABVMKC-CQSZACIVSA-N
XLogP3.51
TPSA62.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[5-[4-(morpholin-4-ylmethyl)phenyl]-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 118647417
4-[5-[4-(2-morpholin-4-ylethyl)phenyl]-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 118647487
4-(5-chloro-8-methoxyimidazo[1,5-a]pyridin-6-yl)benzonitrile;1-ethylpiperidine
CID 144996855
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-amino-6-methoxy-3-pyridinyl)-8-[[(3R)-1-methylpiperidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 118647425
3-bromo-4-(pyrrolidin-3-ylmethoxy)benzonitrile
CID 82801177
3-fluoro-4-(pyrrolidin-3-ylmethoxy)benzonitrile
CID 62372817
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-methylphenyl)-2-[(1-methylpyrazol-3-yl)methyl]-3-oxo-8-[[(3R)-pyrrolidin-3-yl]methoxy]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzonitrile
CID 118644249
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-(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

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
The IUPAC name of 4-[5-chloro-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile (CID 150652221) is 4-[5-chloro-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile.
What is the SMILES notation for 4-[5-chloro-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
The canonical SMILES for 4-[5-chloro-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile is N#Cc1ccc(-c2cc(OC[C@@H]3CCNC3)c3cncn3c2Cl)cc1.
What is the InChIKey of 4-[5-chloro-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
The InChIKey is JCCSLFXOABVMKC-CQSZACIVSA-N. The full InChI is InChI=1S/C19H17ClN4O/c20-19-16(15-3-1-13(8-21)2-4-15)7-18(17-10-23-12-24(17)19)25-11-14-5-6-22-9-14/h1-4,7,10,12,14,22H,5-6,9,11H2/t14-/m1/s1.
What are the key properties of 4-[5-chloro-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile?
4-[5-chloro-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile has a molecular weight of 352.83 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile is sourced from PubChem (CID 150652221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).