6-[1-[6-(5-chloro-2-pyridinyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methyl-1,6-naphthyridin-5-one

C22H16ClFN6O — CID 77401603

IUPAC6-[1-[6-(5-chloro-2-pyridinyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methyl-1,6-naphthyridin-5-one
SMILESCc1cnc2ccn(C(C)c3nnc4c(F)cc(-c5ccc(Cl)cn5)cn34)c(=O)c2c1
InChIInChI=1S/C22H16ClFN6O/c1-12-7-16-19(25-9-12)5-6-29(22(16)31)13(2)20-27-28-21-17(24)8-14(11-30(20)21)18-4-3-15(23)10-26-18/h3-11,13H,1-2H3
InChIKeyRHOFURZLJHGHBU-UHFFFAOYSA-N
MW434.86 g/mol
LogP4.21
Rot. Bonds3

About 6-[1-[6-(5-chloro-2-pyridinyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methyl-1,6-naphthyridin-5-one

6-[1-[6-(5-chloro-2-pyridinyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methyl-1,6-naphthyridin-5-one (PubChem CID 77401603) has the molecular formula C22H16ClFN6O and a molecular weight of 434.86 g/mol. Its IUPAC name is 6-[1-[6-(5-chloro-2-pyridinyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methyl-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name6-[1-[6-(5-chloro-2-pyridinyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methyl-1,6-naphthyridin-5-one
PubChem CID77401603
Molecular FormulaC22H16ClFN6O
Molecular Weight434.86 g/mol
Exact Mass434.11
IUPAC Name6-[1-[6-(5-chloro-2-pyridinyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methyl-1,6-naphthyridin-5-one
SMILESCc1cnc2ccn(C(C)c3nnc4c(F)cc(-c5ccc(Cl)cn5)cn34)c(=O)c2c1
InChIInChI=1S/C22H16ClFN6O/c1-12-7-16-19(25-9-12)5-6-29(22(16)31)13(2)20-27-28-21-17(24)8-14(11-30(20)21)18-4-3-15(23)10-26-18/h3-11,13H,1-2H3
InChIKeyRHOFURZLJHGHBU-UHFFFAOYSA-N
XLogP4.21
TPSA77.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.86
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[1-[6-(5-chloro-2-pyridinyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methyl-1,6-naphthyridin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[6-(5-chloro-2-pyridinyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methyl-1,6-naphthyridin-5-one?
The IUPAC name of 6-[1-[6-(5-chloro-2-pyridinyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methyl-1,6-naphthyridin-5-one (CID 77401603) is 6-[1-[6-(5-chloro-2-pyridinyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methyl-1,6-naphthyridin-5-one.
What is the SMILES notation for 6-[1-[6-(5-chloro-2-pyridinyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methyl-1,6-naphthyridin-5-one?
The canonical SMILES for 6-[1-[6-(5-chloro-2-pyridinyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methyl-1,6-naphthyridin-5-one is Cc1cnc2ccn(C(C)c3nnc4c(F)cc(-c5ccc(Cl)cn5)cn34)c(=O)c2c1.
What is the InChIKey of 6-[1-[6-(5-chloro-2-pyridinyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methyl-1,6-naphthyridin-5-one?
The InChIKey is RHOFURZLJHGHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN6O/c1-12-7-16-19(25-9-12)5-6-29(22(16)31)13(2)20-27-28-21-17(24)8-14(11-30(20)21)18-4-3-15(23)10-26-18/h3-11,13H,1-2H3.
What are the key properties of 6-[1-[6-(5-chloro-2-pyridinyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methyl-1,6-naphthyridin-5-one?
6-[1-[6-(5-chloro-2-pyridinyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methyl-1,6-naphthyridin-5-one has a molecular weight of 434.86 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[6-(5-chloro-2-pyridinyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methyl-1,6-naphthyridin-5-one is sourced from PubChem (CID 77401603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).