6-[(4-fluorophenyl)methyl]-7-hydroxy-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-5-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide

C22H20FN5O4 — CID 91200094

IUPAC6-[(4-fluorophenyl)methyl]-7-hydroxy-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-5-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
SMILESCOc1cc(CNC(=O)c2nc3c(C)c(O)c(Cc4ccc(F)cc4)c(=O)n3[nH]2)ccn1
InChIInChI=1S/C22H20FN5O4/c1-12-18(29)16(9-13-3-5-15(23)6-4-13)22(31)28-20(12)26-19(27-28)21(30)25-11-14-7-8-24-17(10-14)32-2/h3-8,10,29H,9,11H2,1-2H3,(H,25,30)(H,26,27)
InChIKeyRZXBIGMYNNKYHA-UHFFFAOYSA-N
MW437.43 g/mol
LogP2.10
Rot. Bonds6

About 6-[(4-fluorophenyl)methyl]-7-hydroxy-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-5-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide

6-[(4-fluorophenyl)methyl]-7-hydroxy-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-5-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 91200094) has the molecular formula C22H20FN5O4 and a molecular weight of 437.43 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-7-hydroxy-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-5-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]-7-hydroxy-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-5-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
PubChem CID91200094
Molecular FormulaC22H20FN5O4
Molecular Weight437.43 g/mol
Exact Mass437.15
IUPAC Name6-[(4-fluorophenyl)methyl]-7-hydroxy-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-5-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
SMILESCOc1cc(CNC(=O)c2nc3c(C)c(O)c(Cc4ccc(F)cc4)c(=O)n3[nH]2)ccn1
InChIInChI=1S/C22H20FN5O4/c1-12-18(29)16(9-13-3-5-15(23)6-4-13)22(31)28-20(12)26-19(27-28)21(30)25-11-14-7-8-24-17(10-14)32-2/h3-8,10,29H,9,11H2,1-2H3,(H,25,30)(H,26,27)
InChIKeyRZXBIGMYNNKYHA-UHFFFAOYSA-N
XLogP2.10
TPSA121.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.43
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]-7-hydroxy-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-5-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of 6-[(4-fluorophenyl)methyl]-7-hydroxy-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-5-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide (CID 91200094) is 6-[(4-fluorophenyl)methyl]-7-hydroxy-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-5-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-7-hydroxy-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-5-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]-7-hydroxy-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-5-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide is COc1cc(CNC(=O)c2nc3c(C)c(O)c(Cc4ccc(F)cc4)c(=O)n3[nH]2)ccn1.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]-7-hydroxy-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-5-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is RZXBIGMYNNKYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O4/c1-12-18(29)16(9-13-3-5-15(23)6-4-13)22(31)28-20(12)26-19(27-28)21(30)25-11-14-7-8-24-17(10-14)32-2/h3-8,10,29H,9,11H2,1-2H3,(H,25,30)(H,26,27).
What are the key properties of 6-[(4-fluorophenyl)methyl]-7-hydroxy-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-5-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?
6-[(4-fluorophenyl)methyl]-7-hydroxy-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-5-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 437.43 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]-7-hydroxy-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-5-oxo-3H-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 91200094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).