1-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-3-[(2,3-difluorophenyl)methyl]pyrazolo[4,3-b]pyridine

C16H10F4N6 — CID 134498771

IUPAC1-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-3-[(2,3-difluorophenyl)methyl]pyrazolo[4,3-b]pyridine
SMILESFc1cccc(Cc2nn(-c3n[nH]c(C(F)F)n3)c3cccnc23)c1F
InChIInChI=1S/C16H10F4N6/c17-9-4-1-3-8(12(9)18)7-10-13-11(5-2-6-21-13)26(25-10)16-22-15(14(19)20)23-24-16/h1-6,14H,7H2,(H,22,23,24)
InChIKeyOYADRBFIIBMLMZ-UHFFFAOYSA-N
MW362.29 g/mol
LogP3.35
Rot. Bonds4

About 1-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-3-[(2,3-difluorophenyl)methyl]pyrazolo[4,3-b]pyridine

1-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-3-[(2,3-difluorophenyl)methyl]pyrazolo[4,3-b]pyridine (PubChem CID 134498771) has the molecular formula C16H10F4N6 and a molecular weight of 362.29 g/mol. Its IUPAC name is 1-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-3-[(2,3-difluorophenyl)methyl]pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name1-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-3-[(2,3-difluorophenyl)methyl]pyrazolo[4,3-b]pyridine
PubChem CID134498771
Molecular FormulaC16H10F4N6
Molecular Weight362.29 g/mol
Exact Mass362.09
IUPAC Name1-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-3-[(2,3-difluorophenyl)methyl]pyrazolo[4,3-b]pyridine
SMILESFc1cccc(Cc2nn(-c3n[nH]c(C(F)F)n3)c3cccnc23)c1F
InChIInChI=1S/C16H10F4N6/c17-9-4-1-3-8(12(9)18)7-10-13-11(5-2-6-21-13)26(25-10)16-22-15(14(19)20)23-24-16/h1-6,14H,7H2,(H,22,23,24)
InChIKeyOYADRBFIIBMLMZ-UHFFFAOYSA-N
XLogP3.35
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-5-nitrosopyrimidine-4,6-diamine
CID 89103239
[4-amino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]carbamic acid
CID 118247345
[4-amino-2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]pyrimidin-5-yl]-[(2-fluorophenyl)methyl]carbamic acid
CID 118247350
2-[3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-5,5-dimethyl-4-(3,3,3-trifluoropropoxy)-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 71285464
2-(2,3-difluorophenyl)-1-quinolin-8-ylethanone
CID 115790827
3-[(2,3-difluorophenyl)methyl]-4-propan-2-yl-1H-1,2,4-triazole-5-thione
CID 115390110
4-[9-[(2,3-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]morpholine
CID 15366661
(4R)-10-[6-fluoro-3-[(2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridin-1-yl]-4-methyl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-3,6-dione
CID 169021076
2-(2,3-difluorophenyl)-1-(2H-pyrazolo[3,4-b]pyridin-3-yl)ethanone
CID 59832206
3-[(2,3-difluorophenyl)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione
CID 115389605
5-[1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazole-3-carbonitrile
CID 134499746
5-[(2,3-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine
CID 104605153

Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-3-[(2,3-difluorophenyl)methyl]pyrazolo[4,3-b]pyridine?
The IUPAC name of 1-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-3-[(2,3-difluorophenyl)methyl]pyrazolo[4,3-b]pyridine (CID 134498771) is 1-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-3-[(2,3-difluorophenyl)methyl]pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 1-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-3-[(2,3-difluorophenyl)methyl]pyrazolo[4,3-b]pyridine?
The canonical SMILES for 1-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-3-[(2,3-difluorophenyl)methyl]pyrazolo[4,3-b]pyridine is Fc1cccc(Cc2nn(-c3n[nH]c(C(F)F)n3)c3cccnc23)c1F.
What is the InChIKey of 1-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-3-[(2,3-difluorophenyl)methyl]pyrazolo[4,3-b]pyridine?
The InChIKey is OYADRBFIIBMLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N6/c17-9-4-1-3-8(12(9)18)7-10-13-11(5-2-6-21-13)26(25-10)16-22-15(14(19)20)23-24-16/h1-6,14H,7H2,(H,22,23,24).
What are the key properties of 1-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-3-[(2,3-difluorophenyl)methyl]pyrazolo[4,3-b]pyridine?
1-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-3-[(2,3-difluorophenyl)methyl]pyrazolo[4,3-b]pyridine has a molecular weight of 362.29 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-3-[(2,3-difluorophenyl)methyl]pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 134498771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).