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

C22H25FN4OS — CID 20890824

IUPACN-cyclopentyl-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide
SMILESCCC(C(=O)NC1CCCC1)n1c(SCc2ccccc2F)nc2ccncc21
InChIInChI=1S/C22H25FN4OS/c1-2-19(21(28)25-16-8-4-5-9-16)27-20-13-24-12-11-18(20)26-22(27)29-14-15-7-3-6-10-17(15)23/h3,6-7,10-13,16,19H,2,4-5,8-9,14H2,1H3,(H,25,28)
InChIKeySCVAQTBNBQDWBW-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.87
Rot. Bonds7

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

N-cyclopentyl-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide (PubChem CID 20890824) has the molecular formula C22H25FN4OS and a molecular weight of 412.53 g/mol. Its IUPAC name is N-cyclopentyl-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide
PubChem CID20890824
Molecular FormulaC22H25FN4OS
Molecular Weight412.53 g/mol
Exact Mass412.17
IUPAC NameN-cyclopentyl-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide
SMILESCCC(C(=O)NC1CCCC1)n1c(SCc2ccccc2F)nc2ccncc21
InChIInChI=1S/C22H25FN4OS/c1-2-19(21(28)25-16-8-4-5-9-16)27-20-13-24-12-11-18(20)26-22(27)29-14-15-7-3-6-10-17(15)23/h3,6-7,10-13,16,19H,2,4-5,8-9,14H2,1H3,(H,25,28)
InChIKeySCVAQTBNBQDWBW-UHFFFAOYSA-N
XLogP4.87
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide
CID 20890928
N-cycloheptyl-4-[[3-[(2-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]benzamide
CID 20887133
N-cyclopentyl-2-(2-cyclopropylbenzimidazol-1-yl)butanamide
CID 53383203
N-[4-(dimethylamino)phenyl]-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890789
N-(3-methoxyphenyl)-2-[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide
CID 20890739
N-(3,5-dimethoxyphenyl)-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890807
N-(4-methylcyclohexyl)-2-[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]butanamide
CID 20908608
N-cyclopentyl-4-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]benzamide
CID 15945519
(2S)-N-cyclopentyl-2-[(2-fluorophenyl)methylsulfanyl]propanamide
CID 95579029
4-[[2-[(2-chloro-4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-cyclopentylbenzamide
CID 46288194
2-(2-fluorophenyl)-1-[3-(3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethanone
CID 83272939
4-[[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide
CID 20891285

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide?
The IUPAC name of N-cyclopentyl-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide (CID 20890824) is N-cyclopentyl-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide.
What is the SMILES notation for N-cyclopentyl-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide?
The canonical SMILES for N-cyclopentyl-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide is CCC(C(=O)NC1CCCC1)n1c(SCc2ccccc2F)nc2ccncc21.
What is the InChIKey of N-cyclopentyl-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide?
The InChIKey is SCVAQTBNBQDWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4OS/c1-2-19(21(28)25-16-8-4-5-9-16)27-20-13-24-12-11-18(20)26-22(27)29-14-15-7-3-6-10-17(15)23/h3,6-7,10-13,16,19H,2,4-5,8-9,14H2,1H3,(H,25,28).
What are the key properties of N-cyclopentyl-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide?
N-cyclopentyl-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide has a molecular weight of 412.53 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]butanamide is sourced from PubChem (CID 20890824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).