N-[[5-(2,4-difluorophenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide

C17H20F2N4O3S — CID 71835755

IUPACN-[[5-(2,4-difluorophenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1nc2c(n1C)CN(S(=O)(=O)c1ccc(F)cc1F)CC2
InChIInChI=1S/C17H20F2N4O3S/c1-3-17(24)20-9-16-21-13-6-7-23(10-14(13)22(16)2)27(25,26)15-5-4-11(18)8-12(15)19/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,20,24)
InChIKeyNYJODHYCHWYYQF-UHFFFAOYSA-N
MW398.44 g/mol
LogP1.47
Rot. Bonds5

About N-[[5-(2,4-difluorophenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide

N-[[5-(2,4-difluorophenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide (PubChem CID 71835755) has the molecular formula C17H20F2N4O3S and a molecular weight of 398.44 g/mol. Its IUPAC name is N-[[5-(2,4-difluorophenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[5-(2,4-difluorophenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide
PubChem CID71835755
Molecular FormulaC17H20F2N4O3S
Molecular Weight398.44 g/mol
Exact Mass398.12
IUPAC NameN-[[5-(2,4-difluorophenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1nc2c(n1C)CN(S(=O)(=O)c1ccc(F)cc1F)CC2
InChIInChI=1S/C17H20F2N4O3S/c1-3-17(24)20-9-16-21-13-6-7-23(10-14(13)22(16)2)27(25,26)15-5-4-11(18)8-12(15)19/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,20,24)
InChIKeyNYJODHYCHWYYQF-UHFFFAOYSA-N
XLogP1.47
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetyl]amino]-N-ethylacetamide
CID 8771582
N-[[3-ethyl-5-[2-(4-fluorophenyl)acetyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide
CID 83273778
2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methylbutyl)acetamide
CID 8771343
methyl 4-(2,4-difluorophenyl)sulfonylpiperazine-1-carboxylate
CID 110818577
4-cyclopropylidene-1-(2,4-difluorophenyl)sulfonylpiperidine
CID 121187241
1-(2,4-difluorophenyl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 60599241
N-[(1R)-1-cyclopropylethyl]-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 8771590
2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 8771312
1-(2,4-difluorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-4-methylpiperidine-4-carboxamide
CID 52999288
1-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one
CID 51169740
1-(2,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 19684016
2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 8771417

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-difluorophenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide?
The IUPAC name of N-[[5-(2,4-difluorophenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide (CID 71835755) is N-[[5-(2,4-difluorophenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[5-(2,4-difluorophenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide?
The canonical SMILES for N-[[5-(2,4-difluorophenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide is CCC(=O)NCc1nc2c(n1C)CN(S(=O)(=O)c1ccc(F)cc1F)CC2.
What is the InChIKey of N-[[5-(2,4-difluorophenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide?
The InChIKey is NYJODHYCHWYYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O3S/c1-3-17(24)20-9-16-21-13-6-7-23(10-14(13)22(16)2)27(25,26)15-5-4-11(18)8-12(15)19/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,20,24).
What are the key properties of N-[[5-(2,4-difluorophenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide?
N-[[5-(2,4-difluorophenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide has a molecular weight of 398.44 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-difluorophenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide is sourced from PubChem (CID 71835755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).