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

C22H19N7O — CID 164623957

IUPAC7-[[1-[(3-phenoxyphenyl)methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2ccn(Cc3cccc(Oc4ccccc4)c3)n2)c2n[nH]nc2n1
InChIInChI=1S/C22H19N7O/c23-20-13-16(21-22(24-20)26-28-25-21)12-17-9-10-29(27-17)14-15-5-4-8-19(11-15)30-18-6-2-1-3-7-18/h1-11,13H,12,14H2,(H3,23,24,25,26,28)
InChIKeyRADSQRCZOUIUKI-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.56
Rot. Bonds6

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

7-[[1-[(3-phenoxyphenyl)methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 164623957) has the molecular formula C22H19N7O and a molecular weight of 397.44 g/mol. Its IUPAC name is 7-[[1-[(3-phenoxyphenyl)methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[1-[(3-phenoxyphenyl)methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID164623957
Molecular FormulaC22H19N7O
Molecular Weight397.44 g/mol
Exact Mass397.17
IUPAC Name7-[[1-[(3-phenoxyphenyl)methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2ccn(Cc3cccc(Oc4ccccc4)c3)n2)c2n[nH]nc2n1
InChIInChI=1S/C22H19N7O/c23-20-13-16(21-22(24-20)26-28-25-21)12-17-9-10-29(27-17)14-15-5-4-8-19(11-15)30-18-6-2-1-3-7-18/h1-11,13H,12,14H2,(H3,23,24,25,26,28)
InChIKeyRADSQRCZOUIUKI-UHFFFAOYSA-N
XLogP3.56
TPSA107.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-[[1-[(3-benzylphenyl)methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 164629204
7-(cyclodecapentaenylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine
CID 126676489
7-[[1-[[3-(difluoromethoxy)phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126676589
7-[[1-benzyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126676782
7-[[1-[(3-pyridin-2-ylphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126675681
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
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-[(3-pyrrolidin-2-ylphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126675695
1-benzyl-4-[(3-phenoxyphenyl)methyl]piperazine
CID 1376909
6-[(3-phenoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 71468116
7-(1H-indazol-5-ylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine
CID 126679445
1-[3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]phenyl]-4-phenylbutan-1-one;4-phenyl-1-[3-[(2,3,6-triamino-4-pyridinyl)methyl]phenyl]butan-1-one
CID 162262226

Frequently Asked Questions

What is the IUPAC name of 7-[[1-[(3-phenoxyphenyl)methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[1-[(3-phenoxyphenyl)methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 164623957) is 7-[[1-[(3-phenoxyphenyl)methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[1-[(3-phenoxyphenyl)methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[1-[(3-phenoxyphenyl)methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(Cc2ccn(Cc3cccc(Oc4ccccc4)c3)n2)c2n[nH]nc2n1.
What is the InChIKey of 7-[[1-[(3-phenoxyphenyl)methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is RADSQRCZOUIUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O/c23-20-13-16(21-22(24-20)26-28-25-21)12-17-9-10-29(27-17)14-15-5-4-8-19(11-15)30-18-6-2-1-3-7-18/h1-11,13H,12,14H2,(H3,23,24,25,26,28).
What are the key properties of 7-[[1-[(3-phenoxyphenyl)methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[1-[(3-phenoxyphenyl)methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 397.44 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-[(3-phenoxyphenyl)methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 164623957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).