(1-methylindol-3-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

C18H20N4O — CID 124605867

IUPAC(1-methylindol-3-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)c2ccccc21
InChIInChI=1S/C18H20N4O/c1-21-12-15(14-6-2-3-7-17(14)21)18(23)22-10-4-5-13(11-22)16-8-9-19-20-16/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyZLHVIDQRVOXBFP-CYBMUJFWSA-N
MW308.38 g/mol
LogP2.92
Rot. Bonds2

About (1-methylindol-3-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

(1-methylindol-3-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 124605867) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is (1-methylindol-3-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylindol-3-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID124605867
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name(1-methylindol-3-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)c2ccccc21
InChIInChI=1S/C18H20N4O/c1-21-12-15(14-6-2-3-7-17(14)21)18(23)22-10-4-5-13(11-22)16-8-9-19-20-16/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyZLHVIDQRVOXBFP-CYBMUJFWSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(3S)-1-(1-methylindole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124960537
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CID 127247491
(1-methylindol-3-yl)-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 125026162
(1-methylindol-3-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 125002217
(1,2-dimethylindol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124992841
[3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinolin-5-ylmethanone
CID 71934250
(2-methylpyrazol-3-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110271023
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
(2-bromo-5-methylphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 80983810
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
(3-fluoro-2-methoxyphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (1-methylindol-3-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-methylindol-3-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 124605867) is (1-methylindol-3-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylindol-3-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-methylindol-3-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is Cn1cc(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)c2ccccc21.
What is the InChIKey of (1-methylindol-3-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is ZLHVIDQRVOXBFP-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N4O/c1-21-12-15(14-6-2-3-7-17(14)21)18(23)22-10-4-5-13(11-22)16-8-9-19-20-16/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H,19,20)/t13-/m1/s1.
What are the key properties of (1-methylindol-3-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(1-methylindol-3-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 308.38 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindol-3-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 124605867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).