4-(3-methyl-4-pyridinyl)-6-(trifluoromethyl)-1H-indazole

C14H10F3N3 — CID 71735206

IUPAC4-(3-methyl-4-pyridinyl)-6-(trifluoromethyl)-1H-indazole
SMILESCc1cnccc1-c1cc(C(F)(F)F)cc2[nH]ncc12
InChIInChI=1S/C14H10F3N3/c1-8-6-18-3-2-10(8)11-4-9(14(15,16)17)5-13-12(11)7-19-20-13/h2-7H,1H3,(H,19,20)
InChIKeySERKGWYXQDCJCM-UHFFFAOYSA-N
MW277.25 g/mol
LogP3.95
Rot. Bonds1

About 4-(3-methyl-4-pyridinyl)-6-(trifluoromethyl)-1H-indazole

4-(3-methyl-4-pyridinyl)-6-(trifluoromethyl)-1H-indazole (PubChem CID 71735206) has the molecular formula C14H10F3N3 and a molecular weight of 277.25 g/mol. Its IUPAC name is 4-(3-methyl-4-pyridinyl)-6-(trifluoromethyl)-1H-indazole.

Molecular Properties

Compound Name4-(3-methyl-4-pyridinyl)-6-(trifluoromethyl)-1H-indazole
PubChem CID71735206
Molecular FormulaC14H10F3N3
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name4-(3-methyl-4-pyridinyl)-6-(trifluoromethyl)-1H-indazole
SMILESCc1cnccc1-c1cc(C(F)(F)F)cc2[nH]ncc12
InChIInChI=1S/C14H10F3N3/c1-8-6-18-3-2-10(8)11-4-9(14(15,16)17)5-13-12(11)7-19-20-13/h2-7H,1H3,(H,19,20)
InChIKeySERKGWYXQDCJCM-UHFFFAOYSA-N
XLogP3.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Camizestrant
CID 134453496
4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 12106168
Nerispirdine
CID 3081185
3-pyridin-4-yl-1H-indazole
CID 12412578
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
2,4,5,10-Tetrahydropyrazolo[3,4-a]carbazole
CID 645436
N-(4-pyridinyl)-1H-indol-1-amine
CID 3081186
4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine
CID 3575503
N-(2-(2,5-difluorophenyl)-5-methylpyridin-4-yl)-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 54671061
N-[1-(3-fluoropropyl)azetidin-3-yl]-N-methyl-6-[(6S,8R)-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]pyridin-3-amine
CID 134453535
6-[(6S,8R)-7-(2,2-difluoroethyl)-6,8-dimethyl-8,9-dihydro-3H-pyrazolo[4,3-f]isoquinolin-6-yl]-N-[1-(3-fluoropropyl)azetidin-3-yl]pyridin-3-amine
CID 134453542
6-[(6S,8S)-7-(2,2-difluoroethyl)-8-(difluoromethyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-N-[1-(3-fluoropropyl)azetidin-3-yl]pyridin-3-amine
CID 134453552

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-4-pyridinyl)-6-(trifluoromethyl)-1H-indazole?
The IUPAC name of 4-(3-methyl-4-pyridinyl)-6-(trifluoromethyl)-1H-indazole (CID 71735206) is 4-(3-methyl-4-pyridinyl)-6-(trifluoromethyl)-1H-indazole.
What is the SMILES notation for 4-(3-methyl-4-pyridinyl)-6-(trifluoromethyl)-1H-indazole?
The canonical SMILES for 4-(3-methyl-4-pyridinyl)-6-(trifluoromethyl)-1H-indazole is Cc1cnccc1-c1cc(C(F)(F)F)cc2[nH]ncc12.
What is the InChIKey of 4-(3-methyl-4-pyridinyl)-6-(trifluoromethyl)-1H-indazole?
The InChIKey is SERKGWYXQDCJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3/c1-8-6-18-3-2-10(8)11-4-9(14(15,16)17)5-13-12(11)7-19-20-13/h2-7H,1H3,(H,19,20).
What are the key properties of 4-(3-methyl-4-pyridinyl)-6-(trifluoromethyl)-1H-indazole?
4-(3-methyl-4-pyridinyl)-6-(trifluoromethyl)-1H-indazole has a molecular weight of 277.25 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-4-pyridinyl)-6-(trifluoromethyl)-1H-indazole is sourced from PubChem (CID 71735206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).