(7-chloro-3-methyl-1H-indol-2-yl)-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone

C18H19ClN4O2 — CID 154784698

IUPAC(7-chloro-3-methyl-1H-indol-2-yl)-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone
SMILESCO[C@@H]1CC(c2ncc[nH]2)N(C(=O)c2[nH]c3c(Cl)cccc3c2C)C1
InChIInChI=1S/C18H19ClN4O2/c1-10-12-4-3-5-13(19)16(12)22-15(10)18(24)23-9-11(25-2)8-14(23)17-20-6-7-21-17/h3-7,11,14,22H,8-9H2,1-2H3,(H,20,21)/t11-,14?/m1/s1
InChIKeyPVMIIXPBJHKGCG-YNODCEANSA-N
MW358.83 g/mol
LogP3.46
Rot. Bonds3

About (7-chloro-3-methyl-1H-indol-2-yl)-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone

(7-chloro-3-methyl-1H-indol-2-yl)-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone (PubChem CID 154784698) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is (7-chloro-3-methyl-1H-indol-2-yl)-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(7-chloro-3-methyl-1H-indol-2-yl)-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone
PubChem CID154784698
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name(7-chloro-3-methyl-1H-indol-2-yl)-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone
SMILESCO[C@@H]1CC(c2ncc[nH]2)N(C(=O)c2[nH]c3c(Cl)cccc3c2C)C1
InChIInChI=1S/C18H19ClN4O2/c1-10-12-4-3-5-13(19)16(12)22-15(10)18(24)23-9-11(25-2)8-14(23)17-20-6-7-21-17/h3-7,11,14,22H,8-9H2,1-2H3,(H,20,21)/t11-,14?/m1/s1
InChIKeyPVMIIXPBJHKGCG-YNODCEANSA-N
XLogP3.46
TPSA74.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-3-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidine-1-carbonyl]benzonitrile
CID 167987275
(3-chloro-2-methylphenyl)-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 128985182
1H-imidazo[4,5-b]pyridin-5-yl-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone
CID 154765161
(1-tert-butyl-1,2,4-triazol-3-yl)-[(2S,4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone
CID 154762137
[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]-(4-morpholin-4-yl-2-pyridinyl)methanone
CID 154784880
(1-cyclobutylpyrazol-4-yl)-[(2S,4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone
CID 167867342
(3-ethoxy-1,2-oxazol-5-yl)-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone
CID 154765171
(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
1-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-2-(7-methyl-1H-indol-3-yl)ethanone
CID 128985253
1-[(3-chloro-2-methylphenyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 61181381
[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]-(1H-indol-4-yl)methanone
CID 128985093
3-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 154765192

Frequently Asked Questions

What is the IUPAC name of (7-chloro-3-methyl-1H-indol-2-yl)-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone?
The IUPAC name of (7-chloro-3-methyl-1H-indol-2-yl)-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone (CID 154784698) is (7-chloro-3-methyl-1H-indol-2-yl)-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (7-chloro-3-methyl-1H-indol-2-yl)-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone?
The canonical SMILES for (7-chloro-3-methyl-1H-indol-2-yl)-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone is CO[C@@H]1CC(c2ncc[nH]2)N(C(=O)c2[nH]c3c(Cl)cccc3c2C)C1.
What is the InChIKey of (7-chloro-3-methyl-1H-indol-2-yl)-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone?
The InChIKey is PVMIIXPBJHKGCG-YNODCEANSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-10-12-4-3-5-13(19)16(12)22-15(10)18(24)23-9-11(25-2)8-14(23)17-20-6-7-21-17/h3-7,11,14,22H,8-9H2,1-2H3,(H,20,21)/t11-,14?/m1/s1.
What are the key properties of (7-chloro-3-methyl-1H-indol-2-yl)-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone?
(7-chloro-3-methyl-1H-indol-2-yl)-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone has a molecular weight of 358.83 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-3-methyl-1H-indol-2-yl)-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 154784698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).