8-(2-amino-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C22H16F2N8 — CID 146490633

IUPAC8-(2-amino-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(Cc4ncccc4F)nc23)ccn1
InChIInChI=1S/C22H16F2N8/c23-14-5-3-12(4-6-14)20-19(13-7-9-28-17(25)10-13)21-29-18(31-32(21)22(26)30-20)11-16-15(24)2-1-8-27-16/h1-10H,11H2,(H2,25,28)(H2,26,30)
InChIKeySSBAFVYFCTXULM-UHFFFAOYSA-N
MW430.42 g/mol
LogP3.28
Rot. Bonds4

About 8-(2-amino-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

8-(2-amino-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 146490633) has the molecular formula C22H16F2N8 and a molecular weight of 430.42 g/mol. Its IUPAC name is 8-(2-amino-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-(2-amino-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID146490633
Molecular FormulaC22H16F2N8
Molecular Weight430.42 g/mol
Exact Mass430.15
IUPAC Name8-(2-amino-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(Cc4ncccc4F)nc23)ccn1
InChIInChI=1S/C22H16F2N8/c23-14-5-3-12(4-6-14)20-19(13-7-9-28-17(25)10-13)21-29-18(31-32(21)22(26)30-20)11-16-15(24)2-1-8-27-16/h1-10H,11H2,(H2,25,28)(H2,26,30)
InChIKeySSBAFVYFCTXULM-UHFFFAOYSA-N
XLogP3.28
TPSA120.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.42
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-(2-amino-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 8-(2-amino-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 146490633) is 8-(2-amino-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 8-(2-amino-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 8-(2-amino-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Nc1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(Cc4ncccc4F)nc23)ccn1.
What is the InChIKey of 8-(2-amino-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is SSBAFVYFCTXULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N8/c23-14-5-3-12(4-6-14)20-19(13-7-9-28-17(25)10-13)21-29-18(31-32(21)22(26)30-20)11-16-15(24)2-1-8-27-16/h1-10H,11H2,(H2,25,28)(H2,26,30).
What are the key properties of 8-(2-amino-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
8-(2-amino-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 430.42 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-amino-4-pyridinyl)-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 146490633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).