1H-indol-7-yl-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone

C17H19N5O2 — CID 128983630

IUPAC1H-indol-7-yl-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCO[C@@H]1C[C@@H](c2nncn2C)N(C(=O)c2cccc3cc[nH]c23)C1
InChIInChI=1S/C17H19N5O2/c1-21-10-19-20-16(21)14-8-12(24-2)9-22(14)17(23)13-5-3-4-11-6-7-18-15(11)13/h3-7,10,12,14,18H,8-9H2,1-2H3/t12-,14+/m1/s1
InChIKeyRHGHBUUUKKKKKM-OCCSQVGLSA-N
MW325.37 g/mol
LogP1.90
Rot. Bonds3

About 1H-indol-7-yl-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone

1H-indol-7-yl-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 128983630) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1H-indol-7-yl-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-7-yl-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID128983630
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name1H-indol-7-yl-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCO[C@@H]1C[C@@H](c2nncn2C)N(C(=O)c2cccc3cc[nH]c23)C1
InChIInChI=1S/C17H19N5O2/c1-21-10-19-20-16(21)14-8-12(24-2)9-22(14)17(23)13-5-3-4-11-6-7-18-15(11)13/h3-7,10,12,14,18H,8-9H2,1-2H3/t12-,14+/m1/s1
InChIKeyRHGHBUUUKKKKKM-OCCSQVGLSA-N
XLogP1.90
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1H-indol-7-yl-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-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

[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-(2-methyl-1,3-benzoxazol-4-yl)methanone
CID 167752603
[(4aS,6R,8aS)-6-methoxy-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(1H-indol-7-yl)methanone
CID 124776837
1-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-phenylmethoxyethanone
CID 128983901
1-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone
CID 128983653
[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]-(1H-indol-4-yl)methanone
CID 128985093
(3,4-dihydroxypyrrolidin-1-yl)-(1H-indol-7-yl)methanone
CID 106671264
[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-indol-7-yl)methanone
CID 129338842
[(1S,3S)-3-methylsulfonylcyclopentyl] 1H-indole-7-carboxylate
CID 97000390
methyl 1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylate
CID 79035876
(2,3-dimethyl-1H-indol-7-yl)-[(2R,4S)-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
CID 154802338
methyl 1H-indole-7-carboxylate;hydrochloride
CID 175318571
N-(3-ethylphenyl)-2-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]acetamide
CID 126802242

Frequently Asked Questions

What is the IUPAC name of 1H-indol-7-yl-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of 1H-indol-7-yl-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone (CID 128983630) is 1H-indol-7-yl-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 1H-indol-7-yl-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 1H-indol-7-yl-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone is CO[C@@H]1C[C@@H](c2nncn2C)N(C(=O)c2cccc3cc[nH]c23)C1.
What is the InChIKey of 1H-indol-7-yl-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is RHGHBUUUKKKKKM-OCCSQVGLSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-21-10-19-20-16(21)14-8-12(24-2)9-22(14)17(23)13-5-3-4-11-6-7-18-15(11)13/h3-7,10,12,14,18H,8-9H2,1-2H3/t12-,14+/m1/s1.
What are the key properties of 1H-indol-7-yl-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone?
1H-indol-7-yl-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 325.37 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-7-yl-[(2S,4R)-4-methoxy-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 128983630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).