1,4-dimethyl-6-[4-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]-2-(4-methylsulfonylphenyl)imidazo[4,5-c]pyridine

C32H39N5O2S — CID 169154282

IUPAC1,4-dimethyl-6-[4-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]-2-(4-methylsulfonylphenyl)imidazo[4,5-c]pyridine
SMILESCc1nc(-c2ccc(N3CC4(CCN(CC(C)C)CC4)C3)cc2)cc2c1nc(-c1ccc(S(C)(=O)=O)cc1)n2C
InChIInChI=1S/C32H39N5O2S/c1-22(2)19-36-16-14-32(15-17-36)20-37(21-32)26-10-6-24(7-11-26)28-18-29-30(23(3)33-28)34-31(35(29)4)25-8-12-27(13-9-25)40(5,38)39/h6-13,18,22H,14-17,19-21H2,1-5H3
InChIKeyAVCLBLRKMSNHNU-UHFFFAOYSA-N
MW557.76 g/mol
LogP5.57
Rot. Bonds6

About 1,4-dimethyl-6-[4-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]-2-(4-methylsulfonylphenyl)imidazo[4,5-c]pyridine

1,4-dimethyl-6-[4-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]-2-(4-methylsulfonylphenyl)imidazo[4,5-c]pyridine (PubChem CID 169154282) has the molecular formula C32H39N5O2S and a molecular weight of 557.76 g/mol. Its IUPAC name is 1,4-dimethyl-6-[4-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]-2-(4-methylsulfonylphenyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1,4-dimethyl-6-[4-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]-2-(4-methylsulfonylphenyl)imidazo[4,5-c]pyridine
PubChem CID169154282
Molecular FormulaC32H39N5O2S
Molecular Weight557.76 g/mol
Exact Mass557.28
IUPAC Name1,4-dimethyl-6-[4-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]-2-(4-methylsulfonylphenyl)imidazo[4,5-c]pyridine
SMILESCc1nc(-c2ccc(N3CC4(CCN(CC(C)C)CC4)C3)cc2)cc2c1nc(-c1ccc(S(C)(=O)=O)cc1)n2C
InChIInChI=1S/C32H39N5O2S/c1-22(2)19-36-16-14-32(15-17-36)20-37(21-32)26-10-6-24(7-11-26)28-18-29-30(23(3)33-28)34-31(35(29)4)25-8-12-27(13-9-25)40(5,38)39/h6-13,18,22H,14-17,19-21H2,1-5H3
InChIKeyAVCLBLRKMSNHNU-UHFFFAOYSA-N
XLogP5.57
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.76
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3,7-dimethyl-5-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]-2-(4-methylsulfonylphenyl)imidazo[4,5-b]pyridine
CID 169154389
1-[4-[1,4-dimethyl-2-(4-methylsulfonylphenyl)imidazo[4,5-c]pyridin-6-yl]phenyl]-N,N-dimethylpiperidin-4-amine
CID 169154288
1-methyl-2-(4-methylsulfonylphenyl)-6-[4-[2-(oxetan-3-yl)-2,7-diazaspiro[3.5]nonan-7-yl]phenyl]imidazo[4,5-c]pyridine
CID 169154269
6-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-1,4-dimethyl-2-(4-methylsulfonylphenyl)benzimidazole
CID 162735933
4-[4-[1,4-dimethyl-2-(4-methylsulfonylphenyl)pyrrolo[3,2-c]pyridin-6-yl]-2,5-difluorophenyl]-1-(2-methylpropyl)piperidin-4-ol
CID 162736415
1-[4-[3,7-dimethyl-2-(4-methylsulfonylphenyl)benzimidazol-5-yl]phenyl]-N-ethyl-N-methylpiperidin-4-amine
CID 162736183
4-[4-[1,4-dimethyl-2-(4-methylsulfonylphenyl)pyrrolo[3,2-c]pyridin-6-yl]phenyl]-1-propan-2-ylpiperidin-4-ol
CID 162736408
1,4-dimethyl-2-(3-methylsulfonylphenyl)-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyrrolo[3,2-c]pyridine
CID 162736348
1-methyl-2-(4-methylsulfonylphenyl)-4-[1-(oxan-4-yl)piperidin-4-yl]-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzimidazole
CID 171566175
1,4-dimethyl-2-(4-methylsulfonylphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole
CID 162735970
1,7-dimethyl-6-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)benzimidazole
CID 162736164
[methyl-[4-[[methyl-[2-methyl-6-[4-[7-(2-methylbutyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]-3-(methylideneamino)-4-pyridinyl]amino]methyl]phenyl]sulfanylphosphanyl]formonitrile
CID 170128124

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-6-[4-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]-2-(4-methylsulfonylphenyl)imidazo[4,5-c]pyridine?
The IUPAC name of 1,4-dimethyl-6-[4-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]-2-(4-methylsulfonylphenyl)imidazo[4,5-c]pyridine (CID 169154282) is 1,4-dimethyl-6-[4-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]-2-(4-methylsulfonylphenyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 1,4-dimethyl-6-[4-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]-2-(4-methylsulfonylphenyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 1,4-dimethyl-6-[4-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]-2-(4-methylsulfonylphenyl)imidazo[4,5-c]pyridine is Cc1nc(-c2ccc(N3CC4(CCN(CC(C)C)CC4)C3)cc2)cc2c1nc(-c1ccc(S(C)(=O)=O)cc1)n2C.
What is the InChIKey of 1,4-dimethyl-6-[4-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]-2-(4-methylsulfonylphenyl)imidazo[4,5-c]pyridine?
The InChIKey is AVCLBLRKMSNHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N5O2S/c1-22(2)19-36-16-14-32(15-17-36)20-37(21-32)26-10-6-24(7-11-26)28-18-29-30(23(3)33-28)34-31(35(29)4)25-8-12-27(13-9-25)40(5,38)39/h6-13,18,22H,14-17,19-21H2,1-5H3.
What are the key properties of 1,4-dimethyl-6-[4-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]-2-(4-methylsulfonylphenyl)imidazo[4,5-c]pyridine?
1,4-dimethyl-6-[4-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]-2-(4-methylsulfonylphenyl)imidazo[4,5-c]pyridine has a molecular weight of 557.76 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-6-[4-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]-2-(4-methylsulfonylphenyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 169154282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).