3-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-[4-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]propan-1-one

C24H26ClN5O4S — CID 139991612

IUPAC3-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-[4-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]propan-1-one
SMILESCC(O)c1cn2c(N3CCN(C(=O)CCS(=O)(=O)c4cc5cc(Cl)ccc5[nH]4)CC3)cccc2n1
InChIInChI=1S/C24H26ClN5O4S/c1-16(31)20-15-30-21(26-20)3-2-4-23(30)28-8-10-29(11-9-28)24(32)7-12-35(33,34)22-14-17-13-18(25)5-6-19(17)27-22/h2-6,13-16,27,31H,7-12H2,1H3
InChIKeyGJMDBPOJEMKUFP-UHFFFAOYSA-N
MW516.02 g/mol
LogP3.03
Rot. Bonds6

About 3-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-[4-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]propan-1-one

3-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-[4-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]propan-1-one (PubChem CID 139991612) has the molecular formula C24H26ClN5O4S and a molecular weight of 516.02 g/mol. Its IUPAC name is 3-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-[4-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-[4-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]propan-1-one
PubChem CID139991612
Molecular FormulaC24H26ClN5O4S
Molecular Weight516.02 g/mol
Exact Mass515.14
IUPAC Name3-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-[4-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]propan-1-one
SMILESCC(O)c1cn2c(N3CCN(C(=O)CCS(=O)(=O)c4cc5cc(Cl)ccc5[nH]4)CC3)cccc2n1
InChIInChI=1S/C24H26ClN5O4S/c1-16(31)20-15-30-21(26-20)3-2-4-23(30)28-8-10-29(11-9-28)24(32)7-12-35(33,34)22-14-17-13-18(25)5-6-19(17)27-22/h2-6,13-16,27,31H,7-12H2,1H3
InChIKeyGJMDBPOJEMKUFP-UHFFFAOYSA-N
XLogP3.03
TPSA111.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.02
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-[4-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-[4-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-[4-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]propan-1-one (CID 139991612) is 3-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-[4-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-[4-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-[4-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]propan-1-one is CC(O)c1cn2c(N3CCN(C(=O)CCS(=O)(=O)c4cc5cc(Cl)ccc5[nH]4)CC3)cccc2n1.
What is the InChIKey of 3-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-[4-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]propan-1-one?
The InChIKey is GJMDBPOJEMKUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O4S/c1-16(31)20-15-30-21(26-20)3-2-4-23(30)28-8-10-29(11-9-28)24(32)7-12-35(33,34)22-14-17-13-18(25)5-6-19(17)27-22/h2-6,13-16,27,31H,7-12H2,1H3.
What are the key properties of 3-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-[4-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]propan-1-one?
3-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-[4-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]propan-1-one has a molecular weight of 516.02 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-[4-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 139991612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).