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

C20H24N4O — CID 125013112

IUPAC(1,2-dimethylindol-3-yl)-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCC[C@@H](Cc3ccn[nH]3)C2)c2ccccc2n1C
InChIInChI=1S/C20H24N4O/c1-14-19(17-7-3-4-8-18(17)23(14)2)20(25)24-11-5-6-15(13-24)12-16-9-10-21-22-16/h3-4,7-10,15H,5-6,11-13H2,1-2H3,(H,21,22)/t15-/m0/s1
InChIKeyWCUIPWJTILXQCO-HNNXBMFYSA-N
MW336.44 g/mol
LogP3.30
Rot. Bonds3

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

(1,2-dimethylindol-3-yl)-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone (PubChem CID 125013112) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is (1,2-dimethylindol-3-yl)-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,2-dimethylindol-3-yl)-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
PubChem CID125013112
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name(1,2-dimethylindol-3-yl)-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCC[C@@H](Cc3ccn[nH]3)C2)c2ccccc2n1C
InChIInChI=1S/C20H24N4O/c1-14-19(17-7-3-4-8-18(17)23(14)2)20(25)24-11-5-6-15(13-24)12-16-9-10-21-22-16/h3-4,7-10,15H,5-6,11-13H2,1-2H3,(H,21,22)/t15-/m0/s1
InChIKeyWCUIPWJTILXQCO-HNNXBMFYSA-N
XLogP3.30
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1,2-dimethylindol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124992841
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 124998266
(2-methylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 125001802
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 124978958
(4-fluorophenyl)-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 110106358
2-[3-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]chromen-4-one
CID 110106509
2-cyclopropyl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 125024753
2-(benzotriazol-1-yl)-1-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 124992393
2-pyrazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 124968736
(2,3-dimethyl-1H-indol-5-yl)-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 110106506
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 124998993
2H-benzotriazol-5-yl-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 124940852

Frequently Asked Questions

What is the IUPAC name of (1,2-dimethylindol-3-yl)-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (1,2-dimethylindol-3-yl)-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone (CID 125013112) is (1,2-dimethylindol-3-yl)-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1,2-dimethylindol-3-yl)-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (1,2-dimethylindol-3-yl)-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone is Cc1c(C(=O)N2CCC[C@@H](Cc3ccn[nH]3)C2)c2ccccc2n1C.
What is the InChIKey of (1,2-dimethylindol-3-yl)-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is WCUIPWJTILXQCO-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-14-19(17-7-3-4-8-18(17)23(14)2)20(25)24-11-5-6-15(13-24)12-16-9-10-21-22-16/h3-4,7-10,15H,5-6,11-13H2,1-2H3,(H,21,22)/t15-/m0/s1.
What are the key properties of (1,2-dimethylindol-3-yl)-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone?
(1,2-dimethylindol-3-yl)-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 336.44 g/mol, XLogP of 3.30, 3 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-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 125013112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).