N-[[5-[(4-chlorophenyl)methylsulfonyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide

C20H25ClN4O3S — CID 53191098

IUPACN-[[5-[(4-chlorophenyl)methylsulfonyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide
SMILESCn1c(CNC(=O)C2CCC2)nc2c1CN(S(=O)(=O)Cc1ccc(Cl)cc1)CC2
InChIInChI=1S/C20H25ClN4O3S/c1-24-18-12-25(29(27,28)13-14-5-7-16(21)8-6-14)10-9-17(18)23-19(24)11-22-20(26)15-3-2-4-15/h5-8,15H,2-4,9-13H2,1H3,(H,22,26)
InChIKeyGOWXGHXCJNKTJX-UHFFFAOYSA-N
MW436.97 g/mol
LogP2.38
Rot. Bonds6

About N-[[5-[(4-chlorophenyl)methylsulfonyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide

N-[[5-[(4-chlorophenyl)methylsulfonyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide (PubChem CID 53191098) has the molecular formula C20H25ClN4O3S and a molecular weight of 436.97 g/mol. Its IUPAC name is N-[[5-[(4-chlorophenyl)methylsulfonyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[5-[(4-chlorophenyl)methylsulfonyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide
PubChem CID53191098
Molecular FormulaC20H25ClN4O3S
Molecular Weight436.97 g/mol
Exact Mass436.13
IUPAC NameN-[[5-[(4-chlorophenyl)methylsulfonyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide
SMILESCn1c(CNC(=O)C2CCC2)nc2c1CN(S(=O)(=O)Cc1ccc(Cl)cc1)CC2
InChIInChI=1S/C20H25ClN4O3S/c1-24-18-12-25(29(27,28)13-14-5-7-16(21)8-6-14)10-9-17(18)23-19(24)11-22-20(26)15-3-2-4-15/h5-8,15H,2-4,9-13H2,1H3,(H,22,26)
InChIKeyGOWXGHXCJNKTJX-UHFFFAOYSA-N
XLogP2.38
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.97
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(5-chlorothiophen-2-yl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide
CID 53191095
N-[[3-methyl-5-(4-methylbenzoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide
CID 83275824
1-[(4-chlorophenyl)methylsulfonyl]-N-ethylpiperidine-3-carboxamide
CID 53289476
1-[(4-chlorophenyl)methylsulfonyl]-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 100568439
(3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 92641975
(3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 95875436
1-[(4-chlorophenyl)methylsulfonyl]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-4-carboxamide
CID 30392834
N-[[5-(2,4-difluorophenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide
CID 71835755
(3S)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide
CID 92642030
(3S)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 92641894
1-[(4-chlorophenyl)methylsulfonyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 92802401
(3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 92642013

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-chlorophenyl)methylsulfonyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[5-[(4-chlorophenyl)methylsulfonyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide (CID 53191098) is N-[[5-[(4-chlorophenyl)methylsulfonyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[5-[(4-chlorophenyl)methylsulfonyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[5-[(4-chlorophenyl)methylsulfonyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide is Cn1c(CNC(=O)C2CCC2)nc2c1CN(S(=O)(=O)Cc1ccc(Cl)cc1)CC2.
What is the InChIKey of N-[[5-[(4-chlorophenyl)methylsulfonyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide?
The InChIKey is GOWXGHXCJNKTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O3S/c1-24-18-12-25(29(27,28)13-14-5-7-16(21)8-6-14)10-9-17(18)23-19(24)11-22-20(26)15-3-2-4-15/h5-8,15H,2-4,9-13H2,1H3,(H,22,26).
What are the key properties of N-[[5-[(4-chlorophenyl)methylsulfonyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide?
N-[[5-[(4-chlorophenyl)methylsulfonyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide has a molecular weight of 436.97 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-chlorophenyl)methylsulfonyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 53191098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).