6-(6-methyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole

C19H13F3N4 — CID 118664464

IUPAC6-(6-methyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole
SMILESCc1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1
InChIInChI=1S/C19H13F3N4/c1-12-4-2-5-15(24-12)13-8-9-14-11-23-26(16(14)10-13)18-7-3-6-17(25-18)19(20,21)22/h2-11H,1H3
InChIKeyFVSXDEZWTXFCPX-UHFFFAOYSA-N
MW354.34 g/mol
LogP4.81
Rot. Bonds2

About 6-(6-methyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole

6-(6-methyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole (PubChem CID 118664464) has the molecular formula C19H13F3N4 and a molecular weight of 354.34 g/mol. Its IUPAC name is 6-(6-methyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole.

Molecular Properties

Compound Name6-(6-methyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole
PubChem CID118664464
Molecular FormulaC19H13F3N4
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC Name6-(6-methyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole
SMILESCc1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1
InChIInChI=1S/C19H13F3N4/c1-12-4-2-5-15(24-12)13-8-9-14-11-23-26(16(14)10-13)18-7-3-6-17(25-18)19(20,21)22/h2-11H,1H3
InChIKeyFVSXDEZWTXFCPX-UHFFFAOYSA-N
XLogP4.81
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(Difluoro(6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo(4,3-b)pyridazin-3-yl)methyl)quinoline
CID 46911863
Decoglurant
CID 71533696
1-{6-[(3r)-4,4-Difluoropiperidin-3-Yl]pyridin-2-Yl}-6-(6-Methylpyrazin-2-Yl)-1h-Pyrazolo[4,3-C]pyridine
CID 89914568
4-[6-(4-Methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329456
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461
Pyrazolo[1,5-b]pyridazine deriv. 58
CID 6539400
Pyrazolo[1,5-b]pyridazine deriv. 64
CID 6539406
Pyrazolo[1,5-b]pyridazine deriv. 88
CID 6539430
Pyrazolo[1,5-b]pyridazine deriv. 99
CID 6539441
4-[(1E)-{2-[1-(3-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazin-1-ylidene}methyl]pyridine
CID 90759135
5-[(5S,7R)-3-fluoranyl-7-(2-methylpyridin-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]quinolin-2-amine
CID 156022479
(R)-2-(5-methyl-1-(pyridin-2-yl)-1H-pyrazol-4-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11603648

Frequently Asked Questions

What is the IUPAC name of 6-(6-methyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole?
The IUPAC name of 6-(6-methyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole (CID 118664464) is 6-(6-methyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole.
What is the SMILES notation for 6-(6-methyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole?
The canonical SMILES for 6-(6-methyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole is Cc1cccc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1.
What is the InChIKey of 6-(6-methyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole?
The InChIKey is FVSXDEZWTXFCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4/c1-12-4-2-5-15(24-12)13-8-9-14-11-23-26(16(14)10-13)18-7-3-6-17(25-18)19(20,21)22/h2-11H,1H3.
What are the key properties of 6-(6-methyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole?
6-(6-methyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole has a molecular weight of 354.34 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole is sourced from PubChem (CID 118664464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).