[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone

C20H22N4O2 — CID 125012958

IUPAC[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone
SMILESCOc1ccc2[nH]cc(C(=O)N3CC[C@@H](c4nc(C)cc(C)n4)C3)c2c1
InChIInChI=1S/C20H22N4O2/c1-12-8-13(2)23-19(22-12)14-6-7-24(11-14)20(25)17-10-21-18-5-4-15(26-3)9-16(17)18/h4-5,8-10,14,21H,6-7,11H2,1-3H3/t14-/m1/s1
InChIKeyWBSMWACAZVVULP-CQSZACIVSA-N
MW350.42 g/mol
LogP3.21
Rot. Bonds3

About [(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone

[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone (PubChem CID 125012958) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is [(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone
PubChem CID125012958
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone
SMILESCOc1ccc2[nH]cc(C(=O)N3CC[C@@H](c4nc(C)cc(C)n4)C3)c2c1
InChIInChI=1S/C20H22N4O2/c1-12-8-13(2)23-19(22-12)14-6-7-24(11-14)20(25)17-10-21-18-5-4-15(26-3)9-16(17)18/h4-5,8-10,14,21H,6-7,11H2,1-3H3/t14-/m1/s1
InChIKeyWBSMWACAZVVULP-CQSZACIVSA-N
XLogP3.21
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone
CID 127246684
[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone
CID 124988973
(5-methoxy-1H-indol-3-yl)-[3-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 110243504
6-methoxy-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1H-quinolin-4-one
CID 118792643
(5-methoxy-1H-indol-3-yl)-[3-[6-methyl-4-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
CID 110265018
(5-methoxy-1H-indol-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 113206035
[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone
CID 95829854
(4-hydroxypiperidin-1-yl)-(6-methoxy-2-methylquinolin-4-yl)methanone
CID 111459532
(6-methoxy-1H-indol-3-yl)-piperidin-1-ylmethanone
CID 113206512
cyclohexyl-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087522
tert-butyl 4-(5-methoxy-1H-indol-3-yl)piperidine-1-carboxylate
CID 45480277
1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 110269232

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone?
The IUPAC name of [(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone (CID 125012958) is [(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone.
What is the SMILES notation for [(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone?
The canonical SMILES for [(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone is COc1ccc2[nH]cc(C(=O)N3CC[C@@H](c4nc(C)cc(C)n4)C3)c2c1.
What is the InChIKey of [(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone?
The InChIKey is WBSMWACAZVVULP-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-12-8-13(2)23-19(22-12)14-6-7-24(11-14)20(25)17-10-21-18-5-4-15(26-3)9-16(17)18/h4-5,8-10,14,21H,6-7,11H2,1-3H3/t14-/m1/s1.
What are the key properties of [(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone?
[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone has a molecular weight of 350.42 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(5-methoxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 125012958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).