(3R)-6-chloro-3-[2-methoxy-5-(1-methylimidazol-2-yl)-3-pyridinyl]-3-methyl-1H-indol-2-one

C19H17ClN4O2 — CID 162358117

IUPAC(3R)-6-chloro-3-[2-methoxy-5-(1-methylimidazol-2-yl)-3-pyridinyl]-3-methyl-1H-indol-2-one
SMILESCOc1ncc(-c2nccn2C)cc1[C@]1(C)C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C19H17ClN4O2/c1-19(13-5-4-12(20)9-15(13)23-18(19)25)14-8-11(10-22-17(14)26-3)16-21-6-7-24(16)2/h4-10H,1-3H3,(H,23,25)/t19-/m1/s1
InChIKeyAHIUYSZGIFVQAO-LJQANCHMSA-N
MW368.82 g/mol
LogP3.40
Rot. Bonds3

About (3R)-6-chloro-3-[2-methoxy-5-(1-methylimidazol-2-yl)-3-pyridinyl]-3-methyl-1H-indol-2-one

(3R)-6-chloro-3-[2-methoxy-5-(1-methylimidazol-2-yl)-3-pyridinyl]-3-methyl-1H-indol-2-one (PubChem CID 162358117) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is (3R)-6-chloro-3-[2-methoxy-5-(1-methylimidazol-2-yl)-3-pyridinyl]-3-methyl-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-6-chloro-3-[2-methoxy-5-(1-methylimidazol-2-yl)-3-pyridinyl]-3-methyl-1H-indol-2-one
PubChem CID162358117
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name(3R)-6-chloro-3-[2-methoxy-5-(1-methylimidazol-2-yl)-3-pyridinyl]-3-methyl-1H-indol-2-one
SMILESCOc1ncc(-c2nccn2C)cc1[C@]1(C)C(=O)Nc2cc(Cl)ccc21
InChIInChI=1S/C19H17ClN4O2/c1-19(13-5-4-12(20)9-15(13)23-18(19)25)14-8-11(10-22-17(14)26-3)16-21-6-7-24(16)2/h4-10H,1-3H3,(H,23,25)/t19-/m1/s1
InChIKeyAHIUYSZGIFVQAO-LJQANCHMSA-N
XLogP3.40
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-6-chloro-3-[2-methoxy-5-(1-methylimidazol-2-yl)-3-pyridinyl]-3-methyl-1H-indol-2-one with MolForge

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Related Compounds

(3S)-6-chloro-3-[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]-3-methyl-1H-indol-2-one
CID 162358040
(3R)-3-(5-chloro-2-methoxy-3-pyridinyl)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one
CID 162358071
6-chloro-3,3-dimethyl-1H-indol-2-one
CID 58398957
2-(3-chlorophenyl)-1-methylimidazole
CID 57277272
6-chloro-3,3-difluoro-1H-indol-2-one
CID 58398958
2-(3-chloro-4-methoxyphenyl)-1-methylimidazole
CID 146601290
3-(2-chloro-5-methoxy-4-pyridinyl)-3-methyl-6-(trifluoromethyl)-1H-indol-2-one
CID 162358091
1-methyl-2-[4-(1-methylimidazol-2-yl)phenyl]imidazole
CID 1088925
6-chloro-5'-(4-methoxyphenyl)spiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one
CID 24754177
6-(2-methoxy-3-pyridinyl)spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 138051431
dichloroosmium;4-methoxy-2-(1-methylimidazol-2-yl)pyridine;4-methyl-2-(1-methylimidazol-2-yl)pyridine
CID 143879695
3-chloro-5-(1-methylimidazol-2-yl)benzoic acid
CID 107957248

Frequently Asked Questions

What is the IUPAC name of (3R)-6-chloro-3-[2-methoxy-5-(1-methylimidazol-2-yl)-3-pyridinyl]-3-methyl-1H-indol-2-one?
The IUPAC name of (3R)-6-chloro-3-[2-methoxy-5-(1-methylimidazol-2-yl)-3-pyridinyl]-3-methyl-1H-indol-2-one (CID 162358117) is (3R)-6-chloro-3-[2-methoxy-5-(1-methylimidazol-2-yl)-3-pyridinyl]-3-methyl-1H-indol-2-one.
What is the SMILES notation for (3R)-6-chloro-3-[2-methoxy-5-(1-methylimidazol-2-yl)-3-pyridinyl]-3-methyl-1H-indol-2-one?
The canonical SMILES for (3R)-6-chloro-3-[2-methoxy-5-(1-methylimidazol-2-yl)-3-pyridinyl]-3-methyl-1H-indol-2-one is COc1ncc(-c2nccn2C)cc1[C@]1(C)C(=O)Nc2cc(Cl)ccc21.
What is the InChIKey of (3R)-6-chloro-3-[2-methoxy-5-(1-methylimidazol-2-yl)-3-pyridinyl]-3-methyl-1H-indol-2-one?
The InChIKey is AHIUYSZGIFVQAO-LJQANCHMSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-19(13-5-4-12(20)9-15(13)23-18(19)25)14-8-11(10-22-17(14)26-3)16-21-6-7-24(16)2/h4-10H,1-3H3,(H,23,25)/t19-/m1/s1.
What are the key properties of (3R)-6-chloro-3-[2-methoxy-5-(1-methylimidazol-2-yl)-3-pyridinyl]-3-methyl-1H-indol-2-one?
(3R)-6-chloro-3-[2-methoxy-5-(1-methylimidazol-2-yl)-3-pyridinyl]-3-methyl-1H-indol-2-one has a molecular weight of 368.82 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-chloro-3-[2-methoxy-5-(1-methylimidazol-2-yl)-3-pyridinyl]-3-methyl-1H-indol-2-one is sourced from PubChem (CID 162358117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).