2-cyclobutyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine

C19H16F3N5 — CID 134450040

IUPAC2-cyclobutyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine
SMILESCc1cc(-c2c3nc(C(F)(F)F)ccc3nn2C2CCC2)cc2cn[nH]c12
InChIInChI=1S/C19H16F3N5/c1-10-7-11(8-12-9-23-25-16(10)12)18-17-14(26-27(18)13-3-2-4-13)5-6-15(24-17)19(20,21)22/h5-9,13H,2-4H2,1H3,(H,23,25)
InChIKeyMJGSMAILNAUYAT-UHFFFAOYSA-N
MW371.37 g/mol
LogP5.03
Rot. Bonds2

About 2-cyclobutyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine

2-cyclobutyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine (PubChem CID 134450040) has the molecular formula C19H16F3N5 and a molecular weight of 371.37 g/mol. Its IUPAC name is 2-cyclobutyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name2-cyclobutyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine
PubChem CID134450040
Molecular FormulaC19H16F3N5
Molecular Weight371.37 g/mol
Exact Mass371.14
IUPAC Name2-cyclobutyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine
SMILESCc1cc(-c2c3nc(C(F)(F)F)ccc3nn2C2CCC2)cc2cn[nH]c12
InChIInChI=1S/C19H16F3N5/c1-10-7-11(8-12-9-23-25-16(10)12)18-17-14(26-27(18)13-3-2-4-13)5-6-15(24-17)19(20,21)22/h5-9,13H,2-4H2,1H3,(H,23,25)
InChIKeyMJGSMAILNAUYAT-UHFFFAOYSA-N
XLogP5.03
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.37
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Camizestrant
CID 134453496
6-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-[1-(3-fluoranylpropyl)azetidin-3-yl]pyridin-3-amine
CID 134453448
3-Methyl-5-(Pyridin-3-Yl)-2h-Pyrazolo[3,4-C]pyridine
CID 71254055
4-(3-methylpyridin-4-yl)-6-(trifluoromethyl)-1H-indazole
CID 71735206
3-[2-Fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazole
CID 73504556
3-[2-Fluoro-5-(trifluoromethyl)phenyl]-7-methyl-1-(pyrazin-2-ylmethyl)indazole
CID 73504557
3-[5-(Piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(1h-1,2,3-triazol-1-yl)-1h-indazole
CID 135559064
3-[5-(Piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(2h-1,2,3-triazol-2-yl)-1h-indazole
CID 135559067
(R)-2-(1,5-dimethyl-1H-pyrazol-4-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 10019811
(R)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)-2-(1H-pyrazol-4-yl)quinoline
CID 25156751
N-(2-(2,5-difluorophenyl)-5-methylpyridin-4-yl)-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 54671061
5-(1-methylpyrazol-4-yl)-3-(6-piperidin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253727

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine?
The IUPAC name of 2-cyclobutyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine (CID 134450040) is 2-cyclobutyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 2-cyclobutyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine?
The canonical SMILES for 2-cyclobutyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine is Cc1cc(-c2c3nc(C(F)(F)F)ccc3nn2C2CCC2)cc2cn[nH]c12.
What is the InChIKey of 2-cyclobutyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine?
The InChIKey is MJGSMAILNAUYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5/c1-10-7-11(8-12-9-23-25-16(10)12)18-17-14(26-27(18)13-3-2-4-13)5-6-15(24-17)19(20,21)22/h5-9,13H,2-4H2,1H3,(H,23,25).
What are the key properties of 2-cyclobutyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine?
2-cyclobutyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine has a molecular weight of 371.37 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-3-(7-methyl-1H-indazol-5-yl)-5-(trifluoromethyl)pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 134450040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).