1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine

C20H25N5O3S — CID 126720428

IUPAC1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine
SMILESCOc1cccc(S(=O)(=O)n2c(C(C)C)nc3c(N4CCNCC4)nccc32)c1
InChIInChI=1S/C20H25N5O3S/c1-14(2)19-23-18-17(7-8-22-20(18)24-11-9-21-10-12-24)25(19)29(26,27)16-6-4-5-15(13-16)28-3/h4-8,13-14,21H,9-12H2,1-3H3
InChIKeyHLZCDUPNJWTMKB-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.21
Rot. Bonds5

About 1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine

1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine (PubChem CID 126720428) has the molecular formula C20H25N5O3S and a molecular weight of 415.52 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine
PubChem CID126720428
Molecular FormulaC20H25N5O3S
Molecular Weight415.52 g/mol
Exact Mass415.17
IUPAC Name1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine
SMILESCOc1cccc(S(=O)(=O)n2c(C(C)C)nc3c(N4CCNCC4)nccc32)c1
InChIInChI=1S/C20H25N5O3S/c1-14(2)19-23-18-17(7-8-22-20(18)24-11-9-21-10-12-24)25(19)29(26,27)16-6-4-5-15(13-16)28-3/h4-8,13-14,21H,9-12H2,1-3H3
InChIKeyHLZCDUPNJWTMKB-UHFFFAOYSA-N
XLogP2.21
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine?
The IUPAC name of 1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine (CID 126720428) is 1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine is COc1cccc(S(=O)(=O)n2c(C(C)C)nc3c(N4CCNCC4)nccc32)c1.
What is the InChIKey of 1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine?
The InChIKey is HLZCDUPNJWTMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3S/c1-14(2)19-23-18-17(7-8-22-20(18)24-11-9-21-10-12-24)25(19)29(26,27)16-6-4-5-15(13-16)28-3/h4-8,13-14,21H,9-12H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine?
1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine has a molecular weight of 415.52 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)sulfonyl-4-piperazin-1-yl-2-propan-2-ylimidazo[4,5-c]pyridine is sourced from PubChem (CID 126720428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).