5-[2-cyclopentyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydrobenzimidazol-2-one

C19H16F3N5O — CID 134450051

IUPAC5-[2-cyclopentyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3c4nc(C(F)(F)F)ccc4nn3C3CCCC3)cc2[nH]1
InChIInChI=1S/C19H16F3N5O/c20-19(21,22)15-8-7-13-16(25-15)17(27(26-13)11-3-1-2-4-11)10-5-6-12-14(9-10)24-18(28)23-12/h5-9,11H,1-4H2,(H2,23,24,28)
InChIKeyKOMYVVBZMWZJQY-UHFFFAOYSA-N
MW387.37 g/mol
LogP4.40
Rot. Bonds2

About 5-[2-cyclopentyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydrobenzimidazol-2-one

5-[2-cyclopentyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 134450051) has the molecular formula C19H16F3N5O and a molecular weight of 387.37 g/mol. Its IUPAC name is 5-[2-cyclopentyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-cyclopentyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydrobenzimidazol-2-one
PubChem CID134450051
Molecular FormulaC19H16F3N5O
Molecular Weight387.37 g/mol
Exact Mass387.13
IUPAC Name5-[2-cyclopentyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3c4nc(C(F)(F)F)ccc4nn3C3CCCC3)cc2[nH]1
InChIInChI=1S/C19H16F3N5O/c20-19(21,22)15-8-7-13-16(25-15)17(27(26-13)11-3-1-2-4-11)10-5-6-12-14(9-10)24-18(28)23-12/h5-9,11H,1-4H2,(H2,23,24,28)
InChIKeyKOMYVVBZMWZJQY-UHFFFAOYSA-N
XLogP4.40
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[2-cyclopentyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydrobenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopentyl-5-methyl-3-(7-methyl-1H-indazol-5-yl)pyrazolo[4,3-b]pyridine
CID 134449781
5-[7-(2,3-dimethylbut-3-en-2-yl)-2-phenyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydrobenzimidazol-2-one
CID 142337607
1-cyclohexyl-5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1,2,4-triazole
CID 22661016
5-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]-1,3-dihydrobenzimidazol-2-one
CID 167479218
1-cyclopentyl-5-methyl-3-(trifluoromethyl)pyrazole
CID 138655272
5-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]sulfonyl]-1,3-dihydrobenzimidazol-2-one
CID 11933540
5-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]-1,3-dihydrobenzimidazol-2-one
CID 44581292
6-[6-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 174793000
N-cycloheptyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8777926
5-(2-chloro-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one
CID 116968122
5-[(2S)-2-methylpiperidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 8778115
5-(6-chloro-5-piperidin-1-ylcyclohexen-1-yl)-1,3-dihydrobenzimidazol-2-one
CID 163707745

Frequently Asked Questions

What is the IUPAC name of 5-[2-cyclopentyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-cyclopentyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydrobenzimidazol-2-one (CID 134450051) is 5-[2-cyclopentyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-cyclopentyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-cyclopentyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(-c3c4nc(C(F)(F)F)ccc4nn3C3CCCC3)cc2[nH]1.
What is the InChIKey of 5-[2-cyclopentyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is KOMYVVBZMWZJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O/c20-19(21,22)15-8-7-13-16(25-15)17(27(26-13)11-3-1-2-4-11)10-5-6-12-14(9-10)24-18(28)23-12/h5-9,11H,1-4H2,(H2,23,24,28).
What are the key properties of 5-[2-cyclopentyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydrobenzimidazol-2-one?
5-[2-cyclopentyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 387.37 g/mol, XLogP of 4.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyclopentyl-5-(trifluoromethyl)pyrazolo[4,3-b]pyridin-3-yl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 134450051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).