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

C21H18FN7O — CID 67962303

IUPAC6-[(1R)-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methyl-1,6-naphthyridin-5-one
SMILESCc1cnc2ccn([C@H](C)c3nnc4c(F)cc(-c5cnn(C)c5)cn34)c(=O)c2c1
InChIInChI=1S/C21H18FN7O/c1-12-6-16-18(23-8-12)4-5-28(21(16)30)13(2)19-25-26-20-17(22)7-14(11-29(19)20)15-9-24-27(3)10-15/h4-11,13H,1-3H3/t13-/m1/s1
InChIKeySQAAHXWLCPDSMJ-CYBMUJFWSA-N
MW403.42 g/mol
LogP2.90
Rot. Bonds3

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

6-[(1R)-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methyl-1,6-naphthyridin-5-one (PubChem CID 67962303) has the molecular formula C21H18FN7O and a molecular weight of 403.42 g/mol. Its IUPAC name is 6-[(1R)-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methyl-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name6-[(1R)-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methyl-1,6-naphthyridin-5-one
PubChem CID67962303
Molecular FormulaC21H18FN7O
Molecular Weight403.42 g/mol
Exact Mass403.16
IUPAC Name6-[(1R)-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methyl-1,6-naphthyridin-5-one
SMILESCc1cnc2ccn([C@H](C)c3nnc4c(F)cc(-c5cnn(C)c5)cn34)c(=O)c2c1
InChIInChI=1S/C21H18FN7O/c1-12-6-16-18(23-8-12)4-5-28(21(16)30)13(2)19-25-26-20-17(22)7-14(11-29(19)20)15-9-24-27(3)10-15/h4-11,13H,1-3H3/t13-/m1/s1
InChIKeySQAAHXWLCPDSMJ-CYBMUJFWSA-N
XLogP2.90
TPSA82.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

3-ethoxy-6-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one
CID 67962305
6-[(1S)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1R)-1-[8-fluoro-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1S)-1-[8-fluoro-6-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1S)-1-[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one;6-[(1R)-1-[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one
CID 162203694
6-[(1R)-1-[8-fluoro-6-(3-methyl-2,3-dihydro-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one
CID 130284220
N-[1-[8-fluoro-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-N-[(Z)-2-[3-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]ethenyl]formamide
CID 130284059
2-[1-[5,7-difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]isoindole-1,3-dione
CID 141370379
6-[(1S)-1-[8-fluoro-4-methyl-6-(4-methylthiophen-2-yl)-1,2,4-triazonin-3-yl]ethyl]-1,6-naphthyridin-5-one
CID 154972456
8-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-(4-methylpiperazin-1-yl)quinoline
CID 135220825
1-[3-[1-[5,7-difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethanone
CID 88920277
3-iodo-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 154973002
[2-methyl-3-[6-(4-methylphenyl)-8-(1-methylpyrazol-4-yl)-4-oxopyrido[3,4-d]pyrimidin-3-yl]butan-2-yl] hypoiodite
CID 170216779
5,7-difluoro-3-(1-methylpyrazol-4-yl)-6-[(1R)-1-[6-(1-nitrosoethyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]quinoline
CID 123905058
4-[8-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]morpholine
CID 135220827

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methyl-1,6-naphthyridin-5-one?
The IUPAC name of 6-[(1R)-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methyl-1,6-naphthyridin-5-one (CID 67962303) is 6-[(1R)-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[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-[(1R)-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methyl-1,6-naphthyridin-5-one?
The canonical SMILES for 6-[(1R)-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methyl-1,6-naphthyridin-5-one is Cc1cnc2ccn([C@H](C)c3nnc4c(F)cc(-c5cnn(C)c5)cn34)c(=O)c2c1.
What is the InChIKey of 6-[(1R)-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methyl-1,6-naphthyridin-5-one?
The InChIKey is SQAAHXWLCPDSMJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H18FN7O/c1-12-6-16-18(23-8-12)4-5-28(21(16)30)13(2)19-25-26-20-17(22)7-14(11-29(19)20)15-9-24-27(3)10-15/h4-11,13H,1-3H3/t13-/m1/s1.
What are the key properties of 6-[(1R)-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methyl-1,6-naphthyridin-5-one?
6-[(1R)-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methyl-1,6-naphthyridin-5-one has a molecular weight of 403.42 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-methyl-1,6-naphthyridin-5-one is sourced from PubChem (CID 67962303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).