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

C23H21N7 — CID 164629204

IUPAC7-[[1-[(3-benzylphenyl)methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2ccn(Cc3cccc(Cc4ccccc4)c3)n2)c2n[nH]nc2n1
InChIInChI=1S/C23H21N7/c24-21-14-19(22-23(25-21)27-29-26-22)13-20-9-10-30(28-20)15-18-8-4-7-17(12-18)11-16-5-2-1-3-6-16/h1-10,12,14H,11,13,15H2,(H3,24,25,26,27,29)
InChIKeyVMEMGIBLYWCIPP-UHFFFAOYSA-N
MW395.47 g/mol
LogP3.36
Rot. Bonds6

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

7-[[1-[(3-benzylphenyl)methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 164629204) has the molecular formula C23H21N7 and a molecular weight of 395.47 g/mol. Its IUPAC name is 7-[[1-[(3-benzylphenyl)methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[1-[(3-benzylphenyl)methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID164629204
Molecular FormulaC23H21N7
Molecular Weight395.47 g/mol
Exact Mass395.19
IUPAC Name7-[[1-[(3-benzylphenyl)methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2ccn(Cc3cccc(Cc4ccccc4)c3)n2)c2n[nH]nc2n1
InChIInChI=1S/C23H21N7/c24-21-14-19(22-23(25-21)27-29-26-22)13-20-9-10-30(28-20)15-18-8-4-7-17(12-18)11-16-5-2-1-3-6-16/h1-10,12,14H,11,13,15H2,(H3,24,25,26,27,29)
InChIKeyVMEMGIBLYWCIPP-UHFFFAOYSA-N
XLogP3.36
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[1-[(3-benzylphenyl)methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[1-[(3-benzylphenyl)methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 164629204) is 7-[[1-[(3-benzylphenyl)methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[1-[(3-benzylphenyl)methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[1-[(3-benzylphenyl)methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(Cc2ccn(Cc3cccc(Cc4ccccc4)c3)n2)c2n[nH]nc2n1.
What is the InChIKey of 7-[[1-[(3-benzylphenyl)methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is VMEMGIBLYWCIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7/c24-21-14-19(22-23(25-21)27-29-26-22)13-20-9-10-30(28-20)15-18-8-4-7-17(12-18)11-16-5-2-1-3-6-16/h1-10,12,14H,11,13,15H2,(H3,24,25,26,27,29).
What are the key properties of 7-[[1-[(3-benzylphenyl)methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[1-[(3-benzylphenyl)methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 395.47 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-[(3-benzylphenyl)methyl]pyrazol-3-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 164629204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).