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

C23H27ClN4O5S — CID 135334928

IUPAC[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-1-cyclopropylsulfonylpiperazin-2-yl]methanol
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(S(=O)(=O)C5CC5)C(CO)C4)cc3n2)cc1Cl
InChIInChI=1S/C23H27ClN4O5S/c1-32-21-11-22(33-2)19(24)10-18(21)20-13-27-6-5-15(9-23(27)25-20)26-7-8-28(16(12-26)14-29)34(30,31)17-3-4-17/h5-6,9-11,13,16-17,29H,3-4,7-8,12,14H2,1-2H3
InChIKeyOYVMRWLFOGODJH-UHFFFAOYSA-N
MW507.01 g/mol
LogP2.65
Rot. Bonds7

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

[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-1-cyclopropylsulfonylpiperazin-2-yl]methanol (PubChem CID 135334928) has the molecular formula C23H27ClN4O5S and a molecular weight of 507.01 g/mol. Its IUPAC name is [4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-1-cyclopropylsulfonylpiperazin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-1-cyclopropylsulfonylpiperazin-2-yl]methanol
PubChem CID135334928
Molecular FormulaC23H27ClN4O5S
Molecular Weight507.01 g/mol
Exact Mass506.14
IUPAC Name[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-1-cyclopropylsulfonylpiperazin-2-yl]methanol
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCN(S(=O)(=O)C5CC5)C(CO)C4)cc3n2)cc1Cl
InChIInChI=1S/C23H27ClN4O5S/c1-32-21-11-22(33-2)19(24)10-18(21)20-13-27-6-5-15(9-23(27)25-20)26-7-8-28(16(12-26)14-29)34(30,31)17-3-4-17/h5-6,9-11,13,16-17,29H,3-4,7-8,12,14H2,1-2H3
InChIKeyOYVMRWLFOGODJH-UHFFFAOYSA-N
XLogP2.65
TPSA96.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.01
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-1-cyclopropylsulfonylpiperazin-2-yl]methanol?
The IUPAC name of [4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-1-cyclopropylsulfonylpiperazin-2-yl]methanol (CID 135334928) is [4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-1-cyclopropylsulfonylpiperazin-2-yl]methanol.
What is the SMILES notation for [4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-1-cyclopropylsulfonylpiperazin-2-yl]methanol?
The canonical SMILES for [4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-1-cyclopropylsulfonylpiperazin-2-yl]methanol is COc1cc(OC)c(-c2cn3ccc(N4CCN(S(=O)(=O)C5CC5)C(CO)C4)cc3n2)cc1Cl.
What is the InChIKey of [4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-1-cyclopropylsulfonylpiperazin-2-yl]methanol?
The InChIKey is OYVMRWLFOGODJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O5S/c1-32-21-11-22(33-2)19(24)10-18(21)20-13-27-6-5-15(9-23(27)25-20)26-7-8-28(16(12-26)14-29)34(30,31)17-3-4-17/h5-6,9-11,13,16-17,29H,3-4,7-8,12,14H2,1-2H3.
What are the key properties of [4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-1-cyclopropylsulfonylpiperazin-2-yl]methanol?
[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-1-cyclopropylsulfonylpiperazin-2-yl]methanol has a molecular weight of 507.01 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-1-cyclopropylsulfonylpiperazin-2-yl]methanol is sourced from PubChem (CID 135334928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).