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

C22H25FN4O — CID 46360158

IUPACN-cyclopentyl-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide
SMILESO=C(CCCc1nc2cccnc2n1Cc1ccc(F)cc1)NC1CCCC1
InChIInChI=1S/C22H25FN4O/c23-17-12-10-16(11-13-17)15-27-20(26-19-7-4-14-24-22(19)27)8-3-9-21(28)25-18-5-1-2-6-18/h4,7,10-14,18H,1-3,5-6,8-9,15H2,(H,25,28)
InChIKeyTZXRGLVXFJLTOW-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.00
Rot. Bonds7

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

N-cyclopentyl-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide (PubChem CID 46360158) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is N-cyclopentyl-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide
PubChem CID46360158
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC NameN-cyclopentyl-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide
SMILESO=C(CCCc1nc2cccnc2n1Cc1ccc(F)cc1)NC1CCCC1
InChIInChI=1S/C22H25FN4O/c23-17-12-10-16(11-13-17)15-27-20(26-19-7-4-14-24-22(19)27)8-3-9-21(28)25-18-5-1-2-6-18/h4,7,10-14,18H,1-3,5-6,8-9,15H2,(H,25,28)
InChIKeyTZXRGLVXFJLTOW-UHFFFAOYSA-N
XLogP4.00
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-1-piperidin-1-ylbutan-1-one
CID 46360225
N-(3,4-dimethylphenyl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide
CID 46360195
N-(1,3-benzothiazol-2-yl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide
CID 46360187
4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 46344277
4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-[3-(trifluoromethyl)phenyl]butanamide
CID 46360141
4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 46360206
N-cyclopentyl-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]propanamide
CID 126456884
3-[(4-fluorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117159967
3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]-N-[(1S)-1-(4-pyrrolidin-1-ylphenyl)ethyl]propanamide
CID 122445690
N-[2-(4-chlorophenyl)ethyl]-4-[3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide
CID 46360101
N-cyclohexyl-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide
CID 20867515
4-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(1,3-thiazol-2-yl)butanamide
CID 46360068

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide?
The IUPAC name of N-cyclopentyl-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide (CID 46360158) is N-cyclopentyl-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide.
What is the SMILES notation for N-cyclopentyl-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide?
The canonical SMILES for N-cyclopentyl-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide is O=C(CCCc1nc2cccnc2n1Cc1ccc(F)cc1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide?
The InChIKey is TZXRGLVXFJLTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O/c23-17-12-10-16(11-13-17)15-27-20(26-19-7-4-14-24-22(19)27)8-3-9-21(28)25-18-5-1-2-6-18/h4,7,10-14,18H,1-3,5-6,8-9,15H2,(H,25,28).
What are the key properties of N-cyclopentyl-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide?
N-cyclopentyl-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide has a molecular weight of 380.47 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide is sourced from PubChem (CID 46360158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).