5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine

C16H12ClF2N5 — CID 134452552

IUPAC5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCc1nc2ccc(C(F)F)c(-c3cc(Cl)c4[nH]ncc4c3)n2n1
InChIInChI=1S/C16H12ClF2N5/c1-2-12-21-13-4-3-10(16(18)19)15(24(13)23-12)8-5-9-7-20-22-14(9)11(17)6-8/h3-7,16H,2H2,1H3,(H,20,22)
InChIKeyZFRSKYNMLKUCTC-UHFFFAOYSA-N
MW347.76 g/mol
LogP4.43
Rot. Bonds3

About 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine

5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 134452552) has the molecular formula C16H12ClF2N5 and a molecular weight of 347.76 g/mol. Its IUPAC name is 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID134452552
Molecular FormulaC16H12ClF2N5
Molecular Weight347.76 g/mol
Exact Mass347.07
IUPAC Name5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCc1nc2ccc(C(F)F)c(-c3cc(Cl)c4[nH]ncc4c3)n2n1
InChIInChI=1S/C16H12ClF2N5/c1-2-12-21-13-4-3-10(16(18)19)15(24(13)23-12)8-5-9-7-20-22-14(9)11(17)6-8/h3-7,16H,2H2,1H3,(H,20,22)
InChIKeyZFRSKYNMLKUCTC-UHFFFAOYSA-N
XLogP4.43
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.76
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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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
3-(1H-Indazol-5-yl)-N-propylimidazo(1,2-b)pyridazin-6-amine
CID 70679308
6-N-[(4-chlorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 168268921
N-[4-chloro-2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 24971379
6-chloro-N-(cyclopropylmethyl)-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-amine
CID 137333978
1-(3-(5-chloro-4-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl)-N,N-dimethylmethanamine
CID 44526805
6-N-[(2-chlorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 168269148
3-(1H-indol-5-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905188
3-(2-chloroquinolin-6-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905216
CpCDPK1/TgCDPK1-IN-3
CID 24905221
n-(4-Chlorophenyl)-2-(1h-indazol-5-yl)imidazo[1,2-a]pyrimidin-3-amine
CID 25167278
N-(2-chlorophenyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
CID 68291448

Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine (CID 134452552) is 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine is CCc1nc2ccc(C(F)F)c(-c3cc(Cl)c4[nH]ncc4c3)n2n1.
What is the InChIKey of 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is ZFRSKYNMLKUCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2N5/c1-2-12-21-13-4-3-10(16(18)19)15(24(13)23-12)8-5-9-7-20-22-14(9)11(17)6-8/h3-7,16H,2H2,1H3,(H,20,22).
What are the key properties of 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine?
5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 347.76 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-1H-indazol-5-yl)-6-(difluoromethyl)-2-ethyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 134452552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).