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

C30H33N5O3S — CID 169154269

IUPAC1-methyl-2-(4-methylsulfonylphenyl)-6-[4-[2-(oxetan-3-yl)-2,7-diazaspiro[3.5]nonan-7-yl]phenyl]imidazo[4,5-c]pyridine
SMILESCn1c(-c2ccc(S(C)(=O)=O)cc2)nc2cnc(-c3ccc(N4CCC5(CC4)CN(C4COC4)C5)cc3)cc21
InChIInChI=1S/C30H33N5O3S/c1-33-28-15-26(31-16-27(28)32-29(33)22-5-9-25(10-6-22)39(2,36)37)21-3-7-23(8-4-21)34-13-11-30(12-14-34)19-35(20-30)24-17-38-18-24/h3-10,15-16,24H,11-14,17-20H2,1-2H3
InChIKeyOCKFMVVEYXXYBU-UHFFFAOYSA-N
MW543.69 g/mol
LogP4.01
Rot. Bonds5

About 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

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 (PubChem CID 169154269) has the molecular formula C30H33N5O3S and a molecular weight of 543.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-methyl-2-(4-methylsulfonylphenyl)-6-[4-[2-(oxetan-3-yl)-2,7-diazaspiro[3.5]nonan-7-yl]phenyl]imidazo[4,5-c]pyridine
PubChem CID169154269
Molecular FormulaC30H33N5O3S
Molecular Weight543.69 g/mol
Exact Mass543.23
IUPAC Name1-methyl-2-(4-methylsulfonylphenyl)-6-[4-[2-(oxetan-3-yl)-2,7-diazaspiro[3.5]nonan-7-yl]phenyl]imidazo[4,5-c]pyridine
SMILESCn1c(-c2ccc(S(C)(=O)=O)cc2)nc2cnc(-c3ccc(N4CCC5(CC4)CN(C4COC4)C5)cc3)cc21
InChIInChI=1S/C30H33N5O3S/c1-33-28-15-26(31-16-27(28)32-29(33)22-5-9-25(10-6-22)39(2,36)37)21-3-7-23(8-4-21)34-13-11-30(12-14-34)19-35(20-30)24-17-38-18-24/h3-10,15-16,24H,11-14,17-20H2,1-2H3
InChIKeyOCKFMVVEYXXYBU-UHFFFAOYSA-N
XLogP4.01
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.69
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1c(-c2ccc(S(C)(=O)=O)cc2)nc2cnc(-c3ccc(N4CCC5(CC4)CN(C4COC4)C5)cc3)cc21.
What is the InChIKey of 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?
The InChIKey is OCKFMVVEYXXYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O3S/c1-33-28-15-26(31-16-27(28)32-29(33)22-5-9-25(10-6-22)39(2,36)37)21-3-7-23(8-4-21)34-13-11-30(12-14-34)19-35(20-30)24-17-38-18-24/h3-10,15-16,24H,11-14,17-20H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 543.69 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 169154269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).