N-cyclohexyl-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide

C23H27FN4OS — CID 15945486

IUPACN-cyclohexyl-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide
SMILESCCC(C(=O)NC1CCCCC1)n1c(SCc2ccc(F)cc2)nc2ccncc21
InChIInChI=1S/C23H27FN4OS/c1-2-20(22(29)26-18-6-4-3-5-7-18)28-21-14-25-13-12-19(21)27-23(28)30-15-16-8-10-17(24)11-9-16/h8-14,18,20H,2-7,15H2,1H3,(H,26,29)
InChIKeyBQFVDBOGHQBDCY-UHFFFAOYSA-N
MW426.56 g/mol
LogP5.26
Rot. Bonds7

About N-cyclohexyl-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide

N-cyclohexyl-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide (PubChem CID 15945486) has the molecular formula C23H27FN4OS and a molecular weight of 426.56 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide
PubChem CID15945486
Molecular FormulaC23H27FN4OS
Molecular Weight426.56 g/mol
Exact Mass426.19
IUPAC NameN-cyclohexyl-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide
SMILESCCC(C(=O)NC1CCCCC1)n1c(SCc2ccc(F)cc2)nc2ccncc21
InChIInChI=1S/C23H27FN4OS/c1-2-20(22(29)26-18-6-4-3-5-7-18)28-21-14-25-13-12-19(21)27-23(28)30-15-16-8-10-17(24)11-9-16/h8-14,18,20H,2-7,15H2,1H3,(H,26,29)
InChIKeyBQFVDBOGHQBDCY-UHFFFAOYSA-N
XLogP5.26
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanylimidazol-4-yl]-2-pyridinyl]acetamide
CID 10450926
1H-Benzimidazole-2-carboxamide, N-[3-[[6-(4,5-dihydro-1H-imidazol-2-yl)-3-pyridinyl]amino]-3-oxopropyl]-1-(phenylmethyl)-
CID 25105469
1-(azetidin-1-yl)-2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]ethanone
CID 44431993
2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 44431994
(2S)-2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylpropanamide
CID 44431995
(2S)-1-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]-N-(2-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 44454917
(2S)-1-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]-N-(2-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 44454946
N-[(4-fluorophenyl)methyl]-2-(1-phenylimidazol-2-yl)sulfanylacetamide
CID 866687
2-{3H-Imidazo[4,5-B]pyridin-2-ylsulfanyl}-N-(2-phenylethyl)acetamide
CID 606016
3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 20867290
3-(3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl)-N-butylpropanamide
CID 20867282
(2S)-1-[2-(1,6-dimethylbenzimidazol-2-yl)sulfanylacetyl]-N-(2-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 44454878

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide?
The IUPAC name of N-cyclohexyl-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide (CID 15945486) is N-cyclohexyl-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide.
What is the SMILES notation for N-cyclohexyl-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide?
The canonical SMILES for N-cyclohexyl-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide is CCC(C(=O)NC1CCCCC1)n1c(SCc2ccc(F)cc2)nc2ccncc21.
What is the InChIKey of N-cyclohexyl-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide?
The InChIKey is BQFVDBOGHQBDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4OS/c1-2-20(22(29)26-18-6-4-3-5-7-18)28-21-14-25-13-12-19(21)27-23(28)30-15-16-8-10-17(24)11-9-16/h8-14,18,20H,2-7,15H2,1H3,(H,26,29).
What are the key properties of N-cyclohexyl-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide?
N-cyclohexyl-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide has a molecular weight of 426.56 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-[(4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide is sourced from PubChem (CID 15945486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).