(6-methyl-1H-indol-2-yl)-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone

C18H20N4O — CID 95569629

IUPAC(6-methyl-1H-indol-2-yl)-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCc1ccc2cc(C(=O)N3CCC[C@H]3c3cnn(C)c3)[nH]c2c1
InChIInChI=1S/C18H20N4O/c1-12-5-6-13-9-16(20-15(13)8-12)18(23)22-7-3-4-17(22)14-10-19-21(2)11-14/h5-6,8-11,17,20H,3-4,7H2,1-2H3/t17-/m0/s1
InChIKeyDTWFESVQINGQPF-KRWDZBQOSA-N
MW308.39 g/mol
LogP3.19
Rot. Bonds2

About (6-methyl-1H-indol-2-yl)-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone

(6-methyl-1H-indol-2-yl)-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 95569629) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is (6-methyl-1H-indol-2-yl)-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(6-methyl-1H-indol-2-yl)-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
PubChem CID95569629
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name(6-methyl-1H-indol-2-yl)-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCc1ccc2cc(C(=O)N3CCC[C@H]3c3cnn(C)c3)[nH]c2c1
InChIInChI=1S/C18H20N4O/c1-12-5-6-13-9-16(20-15(13)8-12)18(23)22-7-3-4-17(22)14-10-19-21(2)11-14/h5-6,8-11,17,20H,3-4,7H2,1-2H3/t17-/m0/s1
InChIKeyDTWFESVQINGQPF-KRWDZBQOSA-N
XLogP3.19
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6-methyl-1H-indol-2-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95290652
[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(6-methyl-1H-indol-2-yl)methanone
CID 97007040
1H-indol-6-yl-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95340715
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95308695
[3-(2-methylphenyl)-1H-pyrazol-5-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95317102
(3,5-dimethyl-2-pyridinyl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 136521822
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 95336725
(5-methyl-1H-pyrazol-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 56824930
(1,5-dimethylpyrazol-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 86888139
(5-methyl-1H-indol-2-yl)-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 126446207
(7-fluoro-2-methylquinolin-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 56825019
[(1S,2R)-2-(3-methylphenyl)cyclopropyl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 129427757

Frequently Asked Questions

What is the IUPAC name of (6-methyl-1H-indol-2-yl)-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (6-methyl-1H-indol-2-yl)-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone (CID 95569629) is (6-methyl-1H-indol-2-yl)-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (6-methyl-1H-indol-2-yl)-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (6-methyl-1H-indol-2-yl)-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone is Cc1ccc2cc(C(=O)N3CCC[C@H]3c3cnn(C)c3)[nH]c2c1.
What is the InChIKey of (6-methyl-1H-indol-2-yl)-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is DTWFESVQINGQPF-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20N4O/c1-12-5-6-13-9-16(20-15(13)8-12)18(23)22-7-3-4-17(22)14-10-19-21(2)11-14/h5-6,8-11,17,20H,3-4,7H2,1-2H3/t17-/m0/s1.
What are the key properties of (6-methyl-1H-indol-2-yl)-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
(6-methyl-1H-indol-2-yl)-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 308.39 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-1H-indol-2-yl)-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95569629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).