3-cyclobutyl-5-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine

C15H14F2N4 — CID 166302110

IUPAC3-cyclobutyl-5-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESFC(F)n1cc(-c2cnc3[nH]cc(C4CCC4)c3c2)cn1
InChIInChI=1S/C15H14F2N4/c16-15(17)21-8-11(6-20-21)10-4-12-13(9-2-1-3-9)7-19-14(12)18-5-10/h4-9,15H,1-3H2,(H,18,19)
InChIKeyHSHNNOOMOKHTBV-UHFFFAOYSA-N
MW288.30 g/mol
LogP4.09
Rot. Bonds3

About 3-cyclobutyl-5-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine

3-cyclobutyl-5-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 166302110) has the molecular formula C15H14F2N4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-cyclobutyl-5-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-cyclobutyl-5-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID166302110
Molecular FormulaC15H14F2N4
Molecular Weight288.30 g/mol
Exact Mass288.12
IUPAC Name3-cyclobutyl-5-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESFC(F)n1cc(-c2cnc3[nH]cc(C4CCC4)c3c2)cn1
InChIInChI=1S/C15H14F2N4/c16-15(17)21-8-11(6-20-21)10-4-12-13(9-2-1-3-9)7-19-14(12)18-5-10/h4-9,15H,1-3H2,(H,18,19)
InChIKeyHSHNNOOMOKHTBV-UHFFFAOYSA-N
XLogP4.09
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenol
CID 174523287
5-[1-(difluoromethyl)pyrazol-4-yl]-3-(3-piperidin-3-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 122608740
tert-butyl 3-[4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]piperidin-1-yl]sulfonylazetidine-1-carboxylate
CID 146372880
(2S)-2-[2-[1-(difluoromethyl)pyrazole-4-carbonyl]-6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-1H-isoquinolin-8-yl]pyrrolidine-1-carboxylic acid
CID 174160622
4-[8-(1-methylpyrazol-4-yl)-3H-pyrrolo[2,3-c]isoquinolin-1-yl]cyclohexan-1-ol
CID 168926736
3-[(E)-2-(2,5-difluorophenyl)ethenyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 90466221
5-[7-methyl-7-(2-methylpyrrolidin-1-yl)-5,6,8,9-tetrahydrobenzo[7]annulen-3-yl]-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 166137839
3-[2-[5-chloro-2-(trifluoromethyl)phenyl]ethenyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 123970762
3-(1-methylpyrazol-4-yl)-5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine
CID 25024002
1-(difluoromethyl)-4-(4-methylphenyl)pyrazole
CID 121385898
5-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(2-methyl-3-pyridinyl)-1,3,4-oxadiazolidin-2-imine
CID 136969824
3-chloro-4-(3-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide
CID 154846002

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-5-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-cyclobutyl-5-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine (CID 166302110) is 3-cyclobutyl-5-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-cyclobutyl-5-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-cyclobutyl-5-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine is FC(F)n1cc(-c2cnc3[nH]cc(C4CCC4)c3c2)cn1.
What is the InChIKey of 3-cyclobutyl-5-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is HSHNNOOMOKHTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4/c16-15(17)21-8-11(6-20-21)10-4-12-13(9-2-1-3-9)7-19-14(12)18-5-10/h4-9,15H,1-3H2,(H,18,19).
What are the key properties of 3-cyclobutyl-5-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
3-cyclobutyl-5-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 288.30 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-5-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 166302110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).