(6-chloro-1H-indol-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone

C17H17ClN4O — CID 95273869

IUPAC(6-chloro-1H-indol-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
SMILESO=C(c1c[nH]c2cc(Cl)ccc12)N1CCC[C@@H](n2cccn2)C1
InChIInChI=1S/C17H17ClN4O/c18-12-4-5-14-15(10-19-16(14)9-12)17(23)21-7-1-3-13(11-21)22-8-2-6-20-22/h2,4-6,8-10,13,19H,1,3,7,11H2/t13-/m1/s1
InChIKeyOWQOBHUWDHKTSD-CYBMUJFWSA-N
MW328.80 g/mol
LogP3.50
Rot. Bonds2

About (6-chloro-1H-indol-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone

(6-chloro-1H-indol-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone (PubChem CID 95273869) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is (6-chloro-1H-indol-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloro-1H-indol-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
PubChem CID95273869
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name(6-chloro-1H-indol-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
SMILESO=C(c1c[nH]c2cc(Cl)ccc12)N1CCC[C@@H](n2cccn2)C1
InChIInChI=1S/C17H17ClN4O/c18-12-4-5-14-15(10-19-16(14)9-12)17(23)21-7-1-3-13(11-21)22-8-2-6-20-22/h2,4-6,8-10,13,19H,1,3,7,11H2/t13-/m1/s1
InChIKeyOWQOBHUWDHKTSD-CYBMUJFWSA-N
XLogP3.50
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethylthiophen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95282542
7-chloro-3-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one
CID 70739458
1H-indol-4-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
CID 126946391
1,6-dimethyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one
CID 95283135
5-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 95282709
1-methyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one
CID 95383189
(4-aminophenyl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110474500
3-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]-2H-isoquinolin-1-one
CID 95309669
(1-benzylpyrrol-2-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158674
[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95382971
[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-thiophen-3-ylmethanone
CID 95383030
[4-(pyrazol-1-ylmethyl)phenyl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95277241

Frequently Asked Questions

What is the IUPAC name of (6-chloro-1H-indol-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
The IUPAC name of (6-chloro-1H-indol-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone (CID 95273869) is (6-chloro-1H-indol-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone.
What is the SMILES notation for (6-chloro-1H-indol-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
The canonical SMILES for (6-chloro-1H-indol-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone is O=C(c1c[nH]c2cc(Cl)ccc12)N1CCC[C@@H](n2cccn2)C1.
What is the InChIKey of (6-chloro-1H-indol-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
The InChIKey is OWQOBHUWDHKTSD-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17ClN4O/c18-12-4-5-14-15(10-19-16(14)9-12)17(23)21-7-1-3-13(11-21)22-8-2-6-20-22/h2,4-6,8-10,13,19H,1,3,7,11H2/t13-/m1/s1.
What are the key properties of (6-chloro-1H-indol-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
(6-chloro-1H-indol-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone has a molecular weight of 328.80 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1H-indol-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 95273869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).