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

C24H19F2N7O2 — CID 146443751

IUPAC5-[5-amino-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-(2-hydroxyethyl)pyridin-2-one
SMILESNc1nc(-c2ccc(F)cc2)c(-c2ccc(=O)n(CCO)c2)c2nc(Cc3ncccc3F)nn12
InChIInChI=1S/C24H19F2N7O2/c25-16-6-3-14(4-7-16)22-21(15-5-8-20(35)32(13-15)10-11-34)23-29-19(31-33(23)24(27)30-22)12-18-17(26)2-1-9-28-18/h1-9,13,34H,10-12H2,(H2,27,30)
InChIKeyMJGBQQVCOJFOSA-UHFFFAOYSA-N
MW475.46 g/mol
LogP2.46
Rot. Bonds6

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

5-[5-amino-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-(2-hydroxyethyl)pyridin-2-one (PubChem CID 146443751) has the molecular formula C24H19F2N7O2 and a molecular weight of 475.46 g/mol. Its IUPAC name is 5-[5-amino-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-(2-hydroxyethyl)pyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-(2-hydroxyethyl)pyridin-2-one
PubChem CID146443751
Molecular FormulaC24H19F2N7O2
Molecular Weight475.46 g/mol
Exact Mass475.16
IUPAC Name5-[5-amino-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-(2-hydroxyethyl)pyridin-2-one
SMILESNc1nc(-c2ccc(F)cc2)c(-c2ccc(=O)n(CCO)c2)c2nc(Cc3ncccc3F)nn12
InChIInChI=1S/C24H19F2N7O2/c25-16-6-3-14(4-7-16)22-21(15-5-8-20(35)32(13-15)10-11-34)23-29-19(31-33(23)24(27)30-22)12-18-17(26)2-1-9-28-18/h1-9,13,34H,10-12H2,(H2,27,30)
InChIKeyMJGBQQVCOJFOSA-UHFFFAOYSA-N
XLogP2.46
TPSA124.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.46
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[5-amino-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-(2-hydroxyethyl)pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-(2-hydroxyethyl)pyridin-2-one?
The IUPAC name of 5-[5-amino-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-(2-hydroxyethyl)pyridin-2-one (CID 146443751) is 5-[5-amino-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-(2-hydroxyethyl)pyridin-2-one.
What is the SMILES notation for 5-[5-amino-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-(2-hydroxyethyl)pyridin-2-one?
The canonical SMILES for 5-[5-amino-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-(2-hydroxyethyl)pyridin-2-one is Nc1nc(-c2ccc(F)cc2)c(-c2ccc(=O)n(CCO)c2)c2nc(Cc3ncccc3F)nn12.
What is the InChIKey of 5-[5-amino-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-(2-hydroxyethyl)pyridin-2-one?
The InChIKey is MJGBQQVCOJFOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N7O2/c25-16-6-3-14(4-7-16)22-21(15-5-8-20(35)32(13-15)10-11-34)23-29-19(31-33(23)24(27)30-22)12-18-17(26)2-1-9-28-18/h1-9,13,34H,10-12H2,(H2,27,30).
What are the key properties of 5-[5-amino-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-(2-hydroxyethyl)pyridin-2-one?
5-[5-amino-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-(2-hydroxyethyl)pyridin-2-one has a molecular weight of 475.46 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-(2-hydroxyethyl)pyridin-2-one is sourced from PubChem (CID 146443751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).