4-chloro-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-indol-3-yl]benzamide

C25H22ClN5O2 — CID 46391888

IUPAC4-chloro-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-indol-3-yl]benzamide
SMILESO=C(Nc1c(C(=O)N2CCN(c3ccccn3)CC2)[nH]c2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C25H22ClN5O2/c26-18-10-8-17(9-11-18)24(32)29-22-19-5-1-2-6-20(19)28-23(22)25(33)31-15-13-30(14-16-31)21-7-3-4-12-27-21/h1-12,28H,13-16H2,(H,29,32)
InChIKeyJHRPWNXJKYFUQH-UHFFFAOYSA-N
MW459.94 g/mol
LogP4.43
Rot. Bonds4

About 4-chloro-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-indol-3-yl]benzamide

4-chloro-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-indol-3-yl]benzamide (PubChem CID 46391888) has the molecular formula C25H22ClN5O2 and a molecular weight of 459.94 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-indol-3-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-indol-3-yl]benzamide
PubChem CID46391888
Molecular FormulaC25H22ClN5O2
Molecular Weight459.94 g/mol
Exact Mass459.15
IUPAC Name4-chloro-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-indol-3-yl]benzamide
SMILESO=C(Nc1c(C(=O)N2CCN(c3ccccn3)CC2)[nH]c2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C25H22ClN5O2/c26-18-10-8-17(9-11-18)24(32)29-22-19-5-1-2-6-20(19)28-23(22)25(33)31-15-13-30(14-16-31)21-7-3-4-12-27-21/h1-12,28H,13-16H2,(H,29,32)
InChIKeyJHRPWNXJKYFUQH-UHFFFAOYSA-N
XLogP4.43
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.94
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]benzamide
CID 113043874
4-chloro-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-1H-indol-3-yl]benzamide
CID 46391863
3-methyl-N-[2-[4-(3-methylphenyl)piperazine-1-carbonyl]-1H-indol-3-yl]benzamide
CID 46391982
4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-quinolin-2-one
CID 18104771
3-[(4-chlorophenyl)methyl]-7-(4-pyridin-2-ylpiperazine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 3384637
N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 18166383
N-(2-aminophenyl)-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 58930570
N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
CID 109044082
3-[(4-chlorobenzoyl)amino]-5-methyl-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide
CID 46391849
2-(4-chlorophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 719964
(4-chlorothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854869
N-[(4-chlorophenoxy)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108885377

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-indol-3-yl]benzamide?
The IUPAC name of 4-chloro-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-indol-3-yl]benzamide (CID 46391888) is 4-chloro-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-indol-3-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-indol-3-yl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-indol-3-yl]benzamide is O=C(Nc1c(C(=O)N2CCN(c3ccccn3)CC2)[nH]c2ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-indol-3-yl]benzamide?
The InChIKey is JHRPWNXJKYFUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5O2/c26-18-10-8-17(9-11-18)24(32)29-22-19-5-1-2-6-20(19)28-23(22)25(33)31-15-13-30(14-16-31)21-7-3-4-12-27-21/h1-12,28H,13-16H2,(H,29,32).
What are the key properties of 4-chloro-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-indol-3-yl]benzamide?
4-chloro-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-indol-3-yl]benzamide has a molecular weight of 459.94 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-indol-3-yl]benzamide is sourced from PubChem (CID 46391888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).