(1,2-dimethylindol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

C18H20N4O — CID 124992841

IUPAC(1,2-dimethylindol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1c(C(=O)N2CC[C@H](c3ccn[nH]3)C2)c2ccccc2n1C
InChIInChI=1S/C18H20N4O/c1-12-17(14-5-3-4-6-16(14)21(12)2)18(23)22-10-8-13(11-22)15-7-9-19-20-15/h3-7,9,13H,8,10-11H2,1-2H3,(H,19,20)/t13-/m0/s1
InChIKeyPTPDWFOLEKWJHH-ZDUSSCGKSA-N
MW308.38 g/mol
LogP2.84
Rot. Bonds2

About (1,2-dimethylindol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

(1,2-dimethylindol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 124992841) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is (1,2-dimethylindol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1,2-dimethylindol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID124992841
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name(1,2-dimethylindol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1c(C(=O)N2CC[C@H](c3ccn[nH]3)C2)c2ccccc2n1C
InChIInChI=1S/C18H20N4O/c1-12-17(14-5-3-4-6-16(14)21(12)2)18(23)22-10-8-13(11-22)15-7-9-19-20-15/h3-7,9,13H,8,10-11H2,1-2H3,(H,19,20)/t13-/m0/s1
InChIKeyPTPDWFOLEKWJHH-ZDUSSCGKSA-N
XLogP2.84
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1,2-dimethylindol-3-yl)-[(3S)-3-(1H-pyrazol-5-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

(1,2-dimethylindol-3-yl)-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 125013112
(1-methylindol-3-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124605867
isoquinolin-1-yl-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124951974
[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 95841606
(1-methylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 95841745
(1,2-dimethylindol-3-yl)-piperazin-1-ylmethanone
CID 82300062
cyclopentyl-[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]methanone
CID 110801629
(2-bromo-5-methylphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 80983810
2-(benzimidazol-1-yl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 110106026
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 127247124
(5-methylfuran-3-yl)-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 136533986
pyrazin-2-yl-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 95841608

Frequently Asked Questions

What is the IUPAC name of (1,2-dimethylindol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1,2-dimethylindol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (CID 124992841) is (1,2-dimethylindol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1,2-dimethylindol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1,2-dimethylindol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is Cc1c(C(=O)N2CC[C@H](c3ccn[nH]3)C2)c2ccccc2n1C.
What is the InChIKey of (1,2-dimethylindol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is PTPDWFOLEKWJHH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N4O/c1-12-17(14-5-3-4-6-16(14)21(12)2)18(23)22-10-8-13(11-22)15-7-9-19-20-15/h3-7,9,13H,8,10-11H2,1-2H3,(H,19,20)/t13-/m0/s1.
What are the key properties of (1,2-dimethylindol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
(1,2-dimethylindol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 308.38 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethylindol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124992841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).