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

C23H27FN4OS — CID 15945484

IUPACN-cyclohexyl-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide
SMILESCCC(C(=O)NC1CCCCC1)n1c(SCc2ccccc2F)nc2ccncc21
InChIInChI=1S/C23H27FN4OS/c1-2-20(22(29)26-17-9-4-3-5-10-17)28-21-14-25-13-12-19(21)27-23(28)30-15-16-8-6-7-11-18(16)24/h6-8,11-14,17,20H,2-5,9-10,15H2,1H3,(H,26,29)
InChIKeyIQLBYNVBJCHHOV-UHFFFAOYSA-N
MW426.56 g/mol
LogP5.26
Rot. Bonds7

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

N-cyclohexyl-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide (PubChem CID 15945484) has the molecular formula C23H27FN4OS and a molecular weight of 426.56 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide
PubChem CID15945484
Molecular FormulaC23H27FN4OS
Molecular Weight426.56 g/mol
Exact Mass426.19
IUPAC NameN-cyclohexyl-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide
SMILESCCC(C(=O)NC1CCCCC1)n1c(SCc2ccccc2F)nc2ccncc21
InChIInChI=1S/C23H27FN4OS/c1-2-20(22(29)26-17-9-4-3-5-10-17)28-21-14-25-13-12-19(21)27-23(28)30-15-16-8-6-7-11-18(16)24/h6-8,11-14,17,20H,2-5,9-10,15H2,1H3,(H,26,29)
InChIKeyIQLBYNVBJCHHOV-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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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide?
The IUPAC name of N-cyclohexyl-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide (CID 15945484) is N-cyclohexyl-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide.
What is the SMILES notation for N-cyclohexyl-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide?
The canonical SMILES for N-cyclohexyl-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide is CCC(C(=O)NC1CCCCC1)n1c(SCc2ccccc2F)nc2ccncc21.
What is the InChIKey of N-cyclohexyl-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide?
The InChIKey is IQLBYNVBJCHHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4OS/c1-2-20(22(29)26-17-9-4-3-5-10-17)28-21-14-25-13-12-19(21)27-23(28)30-15-16-8-6-7-11-18(16)24/h6-8,11-14,17,20H,2-5,9-10,15H2,1H3,(H,26,29).
What are the key properties of N-cyclohexyl-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide?
N-cyclohexyl-2-[2-[(2-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-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide is sourced from PubChem (CID 15945484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).