2-methyl-1-[[1-(2-methyl-2-phenylpropyl)sulfonylpiperidin-4-yl]methyl]imidazo[4,5-c]pyridine

C23H30N4O2S — CID 10574451

IUPAC2-methyl-1-[[1-(2-methyl-2-phenylpropyl)sulfonylpiperidin-4-yl]methyl]imidazo[4,5-c]pyridine
SMILESCc1nc2cnccc2n1CC1CCN(S(=O)(=O)CC(C)(C)c2ccccc2)CC1
InChIInChI=1S/C23H30N4O2S/c1-18-25-21-15-24-12-9-22(21)27(18)16-19-10-13-26(14-11-19)30(28,29)17-23(2,3)20-7-5-4-6-8-20/h4-9,12,15,19H,10-11,13-14,16-17H2,1-3H3
InChIKeyBTEBWMLZUMQPRC-UHFFFAOYSA-N
MW426.59 g/mol
LogP3.76
Rot. Bonds6

About 2-methyl-1-[[1-(2-methyl-2-phenylpropyl)sulfonylpiperidin-4-yl]methyl]imidazo[4,5-c]pyridine

2-methyl-1-[[1-(2-methyl-2-phenylpropyl)sulfonylpiperidin-4-yl]methyl]imidazo[4,5-c]pyridine (PubChem CID 10574451) has the molecular formula C23H30N4O2S and a molecular weight of 426.59 g/mol. Its IUPAC name is 2-methyl-1-[[1-(2-methyl-2-phenylpropyl)sulfonylpiperidin-4-yl]methyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-methyl-1-[[1-(2-methyl-2-phenylpropyl)sulfonylpiperidin-4-yl]methyl]imidazo[4,5-c]pyridine
PubChem CID10574451
Molecular FormulaC23H30N4O2S
Molecular Weight426.59 g/mol
Exact Mass426.21
IUPAC Name2-methyl-1-[[1-(2-methyl-2-phenylpropyl)sulfonylpiperidin-4-yl]methyl]imidazo[4,5-c]pyridine
SMILESCc1nc2cnccc2n1CC1CCN(S(=O)(=O)CC(C)(C)c2ccccc2)CC1
InChIInChI=1S/C23H30N4O2S/c1-18-25-21-15-24-12-9-22(21)27(18)16-19-10-13-26(14-11-19)30(28,29)17-23(2,3)20-7-5-4-6-8-20/h4-9,12,15,19H,10-11,13-14,16-17H2,1-3H3
InChIKeyBTEBWMLZUMQPRC-UHFFFAOYSA-N
XLogP3.76
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

pan-RAF Inhibitor XP-102
CID 60152613
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
(7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo(1,2-a:4,5-c')dipyridin-7-amine
CID 15953860
N-[5-[3-[2-(Cyclopropylmethylamino)pyrimidin-4-yl]-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl]-2-fluorophenyl]methanesulfonamide
CID 137348299
Imidazopyridine 10b
CID 5329341
Imidazopyridine 12d
CID 5329350
4-(2-(4-Fluorophenyl)-7-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 9844057
4-(7-(1-Ethylpiperidin-4-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 10070518
4-{7-[2-(Dimethylamino)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl}pyrimidin-2-amine
CID 10339487
4-[7-(2-Dimethylamino-1,1-dimethylethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 11741968
1-(methylsulfonyl)-N-(2-phenylpyrimidin-5-yl)spiro[indoline-3,4''-piperidine]-1''-carboxamide
CID 18004939
4-[7-(2-Amino-1,1-dimethylethyl)-2-(4-fluorophenyl)-imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 24887414

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[1-(2-methyl-2-phenylpropyl)sulfonylpiperidin-4-yl]methyl]imidazo[4,5-c]pyridine?
The IUPAC name of 2-methyl-1-[[1-(2-methyl-2-phenylpropyl)sulfonylpiperidin-4-yl]methyl]imidazo[4,5-c]pyridine (CID 10574451) is 2-methyl-1-[[1-(2-methyl-2-phenylpropyl)sulfonylpiperidin-4-yl]methyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-methyl-1-[[1-(2-methyl-2-phenylpropyl)sulfonylpiperidin-4-yl]methyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 2-methyl-1-[[1-(2-methyl-2-phenylpropyl)sulfonylpiperidin-4-yl]methyl]imidazo[4,5-c]pyridine is Cc1nc2cnccc2n1CC1CCN(S(=O)(=O)CC(C)(C)c2ccccc2)CC1.
What is the InChIKey of 2-methyl-1-[[1-(2-methyl-2-phenylpropyl)sulfonylpiperidin-4-yl]methyl]imidazo[4,5-c]pyridine?
The InChIKey is BTEBWMLZUMQPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2S/c1-18-25-21-15-24-12-9-22(21)27(18)16-19-10-13-26(14-11-19)30(28,29)17-23(2,3)20-7-5-4-6-8-20/h4-9,12,15,19H,10-11,13-14,16-17H2,1-3H3.
What are the key properties of 2-methyl-1-[[1-(2-methyl-2-phenylpropyl)sulfonylpiperidin-4-yl]methyl]imidazo[4,5-c]pyridine?
2-methyl-1-[[1-(2-methyl-2-phenylpropyl)sulfonylpiperidin-4-yl]methyl]imidazo[4,5-c]pyridine has a molecular weight of 426.59 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[1-(2-methyl-2-phenylpropyl)sulfonylpiperidin-4-yl]methyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 10574451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).