(5-chloro-1H-indol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C18H17ClN4O — CID 7332834

IUPAC(5-chloro-1H-indol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc2cc(Cl)ccc2[nH]1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H17ClN4O/c19-14-4-5-15-13(11-14)12-16(21-15)18(24)23-9-7-22(8-10-23)17-3-1-2-6-20-17/h1-6,11-12,21H,7-10H2
InChIKeyKYMQIIMGAYYGRB-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.18
Rot. Bonds2

About (5-chloro-1H-indol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(5-chloro-1H-indol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 7332834) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is (5-chloro-1H-indol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-1H-indol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID7332834
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name(5-chloro-1H-indol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc2cc(Cl)ccc2[nH]1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H17ClN4O/c19-14-4-5-15-13(11-14)12-16(21-15)18(24)23-9-7-22(8-10-23)17-3-1-2-6-20-17/h1-6,11-12,21H,7-10H2
InChIKeyKYMQIIMGAYYGRB-UHFFFAOYSA-N
XLogP3.18
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (5-chloro-1H-indol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 7332834) is (5-chloro-1H-indol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-chloro-1H-indol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (5-chloro-1H-indol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (5-chloro-1H-indol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is KYMQIIMGAYYGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c19-14-4-5-15-13(11-14)12-16(21-15)18(24)23-9-7-22(8-10-23)17-3-1-2-6-20-17/h1-6,11-12,21H,7-10H2.
What are the key properties of (5-chloro-1H-indol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(5-chloro-1H-indol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 340.81 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-indol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 7332834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).