[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[(3R)-pyrrolidin-3-yl]methanone

C17H19ClN4O — CID 99931364

IUPAC[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[(3R)-pyrrolidin-3-yl]methanone
SMILESO=C([C@@H]1CCNC1)N1CCc2nc(-c3ccc(Cl)cc3)[nH]c2C1
InChIInChI=1S/C17H19ClN4O/c18-13-3-1-11(2-4-13)16-20-14-6-8-22(10-15(14)21-16)17(23)12-5-7-19-9-12/h1-4,12,19H,5-10H2,(H,20,21)/t12-/m1/s1
InChIKeyONSXDZWJARMXAM-GFCCVEGCSA-N
MW330.82 g/mol
LogP2.22
Rot. Bonds2

About [2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[(3R)-pyrrolidin-3-yl]methanone

[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[(3R)-pyrrolidin-3-yl]methanone (PubChem CID 99931364) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[(3R)-pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[(3R)-pyrrolidin-3-yl]methanone
PubChem CID99931364
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC Name[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[(3R)-pyrrolidin-3-yl]methanone
SMILESO=C([C@@H]1CCNC1)N1CCc2nc(-c3ccc(Cl)cc3)[nH]c2C1
InChIInChI=1S/C17H19ClN4O/c18-13-3-1-11(2-4-13)16-20-14-6-8-22(10-15(14)21-16)17(23)12-5-7-19-9-12/h1-4,12,19H,5-10H2,(H,20,21)/t12-/m1/s1
InChIKeyONSXDZWJARMXAM-GFCCVEGCSA-N
XLogP2.22
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[(3R)-pyrrolidin-3-yl]methanone?
The IUPAC name of [2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[(3R)-pyrrolidin-3-yl]methanone (CID 99931364) is [2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[(3R)-pyrrolidin-3-yl]methanone.
What is the SMILES notation for [2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[(3R)-pyrrolidin-3-yl]methanone?
The canonical SMILES for [2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[(3R)-pyrrolidin-3-yl]methanone is O=C([C@@H]1CCNC1)N1CCc2nc(-c3ccc(Cl)cc3)[nH]c2C1.
What is the InChIKey of [2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[(3R)-pyrrolidin-3-yl]methanone?
The InChIKey is ONSXDZWJARMXAM-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19ClN4O/c18-13-3-1-11(2-4-13)16-20-14-6-8-22(10-15(14)21-16)17(23)12-5-7-19-9-12/h1-4,12,19H,5-10H2,(H,20,21)/t12-/m1/s1.
What are the key properties of [2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[(3R)-pyrrolidin-3-yl]methanone?
[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[(3R)-pyrrolidin-3-yl]methanone has a molecular weight of 330.82 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[(3R)-pyrrolidin-3-yl]methanone is sourced from PubChem (CID 99931364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).