[4-[2-(5-chloro-4-methoxy-2-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-1-cyclopropylsulfonylpiperazin-2-yl]methanol

C23H27ClN4O4S — CID 135335047

IUPAC[4-[2-(5-chloro-4-methoxy-2-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-1-cyclopropylsulfonylpiperazin-2-yl]methanol
SMILESCOc1cc(C)c(-c2cn3ccc(N4CCN(S(=O)(=O)C5CC5)C(CO)C4)cc3n2)cc1Cl
InChIInChI=1S/C23H27ClN4O4S/c1-15-9-22(32-2)20(24)11-19(15)21-13-27-6-5-16(10-23(27)25-21)26-7-8-28(17(12-26)14-29)33(30,31)18-3-4-18/h5-6,9-11,13,17-18,29H,3-4,7-8,12,14H2,1-2H3
InChIKeyMONGSPGJDQISFL-UHFFFAOYSA-N
MW491.01 g/mol
LogP2.95
Rot. Bonds6

About [4-[2-(5-chloro-4-methoxy-2-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-1-cyclopropylsulfonylpiperazin-2-yl]methanol

[4-[2-(5-chloro-4-methoxy-2-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-1-cyclopropylsulfonylpiperazin-2-yl]methanol (PubChem CID 135335047) has the molecular formula C23H27ClN4O4S and a molecular weight of 491.01 g/mol. Its IUPAC name is [4-[2-(5-chloro-4-methoxy-2-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-1-cyclopropylsulfonylpiperazin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-(5-chloro-4-methoxy-2-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-1-cyclopropylsulfonylpiperazin-2-yl]methanol
PubChem CID135335047
Molecular FormulaC23H27ClN4O4S
Molecular Weight491.01 g/mol
Exact Mass490.14
IUPAC Name[4-[2-(5-chloro-4-methoxy-2-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-1-cyclopropylsulfonylpiperazin-2-yl]methanol
SMILESCOc1cc(C)c(-c2cn3ccc(N4CCN(S(=O)(=O)C5CC5)C(CO)C4)cc3n2)cc1Cl
InChIInChI=1S/C23H27ClN4O4S/c1-15-9-22(32-2)20(24)11-19(15)21-13-27-6-5-16(10-23(27)25-21)26-7-8-28(17(12-26)14-29)33(30,31)18-3-4-18/h5-6,9-11,13,17-18,29H,3-4,7-8,12,14H2,1-2H3
InChIKeyMONGSPGJDQISFL-UHFFFAOYSA-N
XLogP2.95
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.01
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(5-chloro-4-methoxy-2-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-1-cyclopropylsulfonylpiperazin-2-yl]methanol?
The IUPAC name of [4-[2-(5-chloro-4-methoxy-2-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-1-cyclopropylsulfonylpiperazin-2-yl]methanol (CID 135335047) is [4-[2-(5-chloro-4-methoxy-2-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-1-cyclopropylsulfonylpiperazin-2-yl]methanol.
What is the SMILES notation for [4-[2-(5-chloro-4-methoxy-2-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-1-cyclopropylsulfonylpiperazin-2-yl]methanol?
The canonical SMILES for [4-[2-(5-chloro-4-methoxy-2-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-1-cyclopropylsulfonylpiperazin-2-yl]methanol is COc1cc(C)c(-c2cn3ccc(N4CCN(S(=O)(=O)C5CC5)C(CO)C4)cc3n2)cc1Cl.
What is the InChIKey of [4-[2-(5-chloro-4-methoxy-2-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-1-cyclopropylsulfonylpiperazin-2-yl]methanol?
The InChIKey is MONGSPGJDQISFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O4S/c1-15-9-22(32-2)20(24)11-19(15)21-13-27-6-5-16(10-23(27)25-21)26-7-8-28(17(12-26)14-29)33(30,31)18-3-4-18/h5-6,9-11,13,17-18,29H,3-4,7-8,12,14H2,1-2H3.
What are the key properties of [4-[2-(5-chloro-4-methoxy-2-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-1-cyclopropylsulfonylpiperazin-2-yl]methanol?
[4-[2-(5-chloro-4-methoxy-2-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-1-cyclopropylsulfonylpiperazin-2-yl]methanol has a molecular weight of 491.01 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(5-chloro-4-methoxy-2-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-1-cyclopropylsulfonylpiperazin-2-yl]methanol is sourced from PubChem (CID 135335047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).