5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2H-triazolo[4,5-d]pyrimidin-7-amine

C17H12FN9 — CID 66613971

IUPAC5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2H-triazolo[4,5-d]pyrimidin-7-amine
SMILESNc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2n[nH]nc12
InChIInChI=1S/C17H12FN9/c18-11-6-2-1-4-9(11)8-27-17-10(5-3-7-20-17)12(25-27)15-21-14(19)13-16(22-15)24-26-23-13/h1-7H,8H2,(H3,19,21,22,23,24,26)
InChIKeyKBNWZNRMVHXIDJ-UHFFFAOYSA-N
MW361.34 g/mol
LogP1.93
Rot. Bonds3

About 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2H-triazolo[4,5-d]pyrimidin-7-amine

5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2H-triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 66613971) has the molecular formula C17H12FN9 and a molecular weight of 361.34 g/mol. Its IUPAC name is 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2H-triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2H-triazolo[4,5-d]pyrimidin-7-amine
PubChem CID66613971
Molecular FormulaC17H12FN9
Molecular Weight361.34 g/mol
Exact Mass361.12
IUPAC Name5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2H-triazolo[4,5-d]pyrimidin-7-amine
SMILESNc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2n[nH]nc12
InChIInChI=1S/C17H12FN9/c18-11-6-2-1-4-9(11)8-27-17-10(5-3-7-20-17)12(25-27)15-21-14(19)13-16(22-15)24-26-23-13/h1-7H,8H2,(H3,19,21,22,23,24,26)
InChIKeyKBNWZNRMVHXIDJ-UHFFFAOYSA-N
XLogP1.93
TPSA124.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.34
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2H-triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2H-triazolo[4,5-d]pyrimidin-7-amine (CID 66613971) is 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2H-triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2H-triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2H-triazolo[4,5-d]pyrimidin-7-amine is Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2n[nH]nc12.
What is the InChIKey of 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2H-triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is KBNWZNRMVHXIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN9/c18-11-6-2-1-4-9(11)8-27-17-10(5-3-7-20-17)12(25-27)15-21-14(19)13-16(22-15)24-26-23-13/h1-7H,8H2,(H3,19,21,22,23,24,26).
What are the key properties of 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2H-triazolo[4,5-d]pyrimidin-7-amine?
5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2H-triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 361.34 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2H-triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 66613971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).