7-[[1-[[3-(difluoromethoxy)phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

C17H15F2N7O — CID 126676589

IUPAC7-[[1-[[3-(difluoromethoxy)phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2cnn(Cc3cccc(OC(F)F)c3)c2)c2n[nH]nc2n1
InChIInChI=1S/C17H15F2N7O/c18-17(19)27-13-3-1-2-10(5-13)8-26-9-11(7-21-26)4-12-6-14(20)22-16-15(12)23-25-24-16/h1-3,5-7,9,17H,4,8H2,(H3,20,22,23,24,25)
InChIKeyUREBVIHLLTYJDT-UHFFFAOYSA-N
MW371.35 g/mol
LogP2.37
Rot. Bonds6

About 7-[[1-[[3-(difluoromethoxy)phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[[1-[[3-(difluoromethoxy)phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126676589) has the molecular formula C17H15F2N7O and a molecular weight of 371.35 g/mol. Its IUPAC name is 7-[[1-[[3-(difluoromethoxy)phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[1-[[3-(difluoromethoxy)phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126676589
Molecular FormulaC17H15F2N7O
Molecular Weight371.35 g/mol
Exact Mass371.13
IUPAC Name7-[[1-[[3-(difluoromethoxy)phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2cnn(Cc3cccc(OC(F)F)c3)c2)c2n[nH]nc2n1
InChIInChI=1S/C17H15F2N7O/c18-17(19)27-13-3-1-2-10(5-13)8-26-9-11(7-21-26)4-12-6-14(20)22-16-15(12)23-25-24-16/h1-3,5-7,9,17H,4,8H2,(H3,20,22,23,24,25)
InChIKeyUREBVIHLLTYJDT-UHFFFAOYSA-N
XLogP2.37
TPSA107.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-[[1-[(3-pyridin-3-ylphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126675532
7-[[1-[(3-pyridin-2-ylphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126675681
7-[[1-[(3-pyrrolidin-2-ylphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126675695
7-[[1-[[3-(3,3-difluoropiperidin-4-yl)phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649797
[4-[[4-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]pyrazol-1-yl]methyl]phenyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 126649705
7-[[1-[[3-[methyl-[(5-methylpyrrolidin-2-yl)methyl]amino]phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 137435443
7-[[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649812
7-[[1-[[(2S,4S)-4-(4-fluorophenoxy)pyrrolidin-2-yl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126677171
7-[(1-methylindazol-6-yl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126650381
7-(1H-indazol-5-ylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine
CID 126679445
7-[3-[[(1S,3S,4R)-3-benzyl-4-[3-(pyrazol-1-ylmethyl)phenoxy]cyclopentyl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 138712597
3-(difluoromethoxy)-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19336243

Frequently Asked Questions

What is the IUPAC name of 7-[[1-[[3-(difluoromethoxy)phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[1-[[3-(difluoromethoxy)phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 126676589) is 7-[[1-[[3-(difluoromethoxy)phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[1-[[3-(difluoromethoxy)phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[1-[[3-(difluoromethoxy)phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(Cc2cnn(Cc3cccc(OC(F)F)c3)c2)c2n[nH]nc2n1.
What is the InChIKey of 7-[[1-[[3-(difluoromethoxy)phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is UREBVIHLLTYJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N7O/c18-17(19)27-13-3-1-2-10(5-13)8-26-9-11(7-21-26)4-12-6-14(20)22-16-15(12)23-25-24-16/h1-3,5-7,9,17H,4,8H2,(H3,20,22,23,24,25).
What are the key properties of 7-[[1-[[3-(difluoromethoxy)phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[1-[[3-(difluoromethoxy)phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 371.35 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-[[3-(difluoromethoxy)phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126676589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).