(3S)-3-(3-fluoro-4-methoxyphenyl)-3-(3-methylimidazol-4-yl)-1-[7-[(2-methylpyrazol-3-yl)amino]-1,6-naphthyridin-2-yl]propan-1-one

C26H24FN7O2 — CID 121474161

IUPAC(3S)-3-(3-fluoro-4-methoxyphenyl)-3-(3-methylimidazol-4-yl)-1-[7-[(2-methylpyrazol-3-yl)amino]-1,6-naphthyridin-2-yl]propan-1-one
SMILESCOc1ccc([C@H](CC(=O)c2ccc3cnc(Nc4ccnn4C)cc3n2)c2cncn2C)cc1F
InChIInChI=1S/C26H24FN7O2/c1-33-15-28-14-22(33)18(16-5-7-24(36-3)19(27)10-16)11-23(35)20-6-4-17-13-29-25(12-21(17)31-20)32-26-8-9-30-34(26)2/h4-10,12-15,18H,11H2,1-3H3,(H,29,32)/t18-/m0/s1
InChIKeyWSVMWDZGDISKSZ-SFHVURJKSA-N
MW485.52 g/mol
LogP4.39
Rot. Bonds8

About (3S)-3-(3-fluoro-4-methoxyphenyl)-3-(3-methylimidazol-4-yl)-1-[7-[(2-methylpyrazol-3-yl)amino]-1,6-naphthyridin-2-yl]propan-1-one

(3S)-3-(3-fluoro-4-methoxyphenyl)-3-(3-methylimidazol-4-yl)-1-[7-[(2-methylpyrazol-3-yl)amino]-1,6-naphthyridin-2-yl]propan-1-one (PubChem CID 121474161) has the molecular formula C26H24FN7O2 and a molecular weight of 485.52 g/mol. Its IUPAC name is (3S)-3-(3-fluoro-4-methoxyphenyl)-3-(3-methylimidazol-4-yl)-1-[7-[(2-methylpyrazol-3-yl)amino]-1,6-naphthyridin-2-yl]propan-1-one.

Molecular Properties

Compound Name(3S)-3-(3-fluoro-4-methoxyphenyl)-3-(3-methylimidazol-4-yl)-1-[7-[(2-methylpyrazol-3-yl)amino]-1,6-naphthyridin-2-yl]propan-1-one
PubChem CID121474161
Molecular FormulaC26H24FN7O2
Molecular Weight485.52 g/mol
Exact Mass485.20
IUPAC Name(3S)-3-(3-fluoro-4-methoxyphenyl)-3-(3-methylimidazol-4-yl)-1-[7-[(2-methylpyrazol-3-yl)amino]-1,6-naphthyridin-2-yl]propan-1-one
SMILESCOc1ccc([C@H](CC(=O)c2ccc3cnc(Nc4ccnn4C)cc3n2)c2cncn2C)cc1F
InChIInChI=1S/C26H24FN7O2/c1-33-15-28-14-22(33)18(16-5-7-24(36-3)19(27)10-16)11-23(35)20-6-4-17-13-29-25(12-21(17)31-20)32-26-8-9-30-34(26)2/h4-10,12-15,18H,11H2,1-3H3,(H,29,32)/t18-/m0/s1
InChIKeyWSVMWDZGDISKSZ-SFHVURJKSA-N
XLogP4.39
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.52
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(3-imidazol-1-ylpropyl)-8-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide
CID 4055067
2-(2,6-Difluoro-4-Methoxyphenyl)-1-(4-{4-[(3-Methyl-1h-Pyrazol-5-Yl)amino]pyrrolo[2,1-F][1,2,4]triazin-2-Yl}piperazin-1-Yl)ethanone
CID 49859752
1-(4-benzoylpiperazin-1-yl)-2-[4-[3-(4-methoxyphenyl)pyrazol-1-yl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 25024302
9-(2-fluoro-4-methoxybenzyl)-6-methyl-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)-8,9-dihydro-1,2,2a1,6-tetraazabenzo[cd]azulen-7(6H)-one
CID 118146454
(12R)-12-[(2-fluoro-4-methoxyphenyl)methyl]-9-methyl-6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3,9,13-tetrazatricyclo[6.4.1.04,13]trideca-1,3,5,7-tetraen-10-one
CID 145713275
(12S)-12-[(2-fluoro-4-methoxyphenyl)methyl]-9-methyl-6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3,9,13-tetrazatricyclo[6.4.1.04,13]trideca-1,3,5,7-tetraen-10-one
CID 145995674
(7S)-7-amino-7-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-1-(1H-pyrazol-5-yl)heptan-1-one
CID 156018320
[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[4-(4-methoxyphenyl)-1H-pyrrol-2-yl]methanone
CID 50938965
(R)-N-(5-(2-(3-fluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-6-methoxypicolinamide
CID 58386272
5-fluoro-N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]-2-[(2-methylpyrazol-3-yl)amino]quinazoline-7-carboxamide
CID 71246640
N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]-2-[(2-methylpyrazol-3-yl)amino]quinazoline-7-carboxamide
CID 71246807
2-[(2,5-dimethylpyrazol-3-yl)amino]-N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]quinazoline-7-carboxamide
CID 71247127

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-fluoro-4-methoxyphenyl)-3-(3-methylimidazol-4-yl)-1-[7-[(2-methylpyrazol-3-yl)amino]-1,6-naphthyridin-2-yl]propan-1-one?
The IUPAC name of (3S)-3-(3-fluoro-4-methoxyphenyl)-3-(3-methylimidazol-4-yl)-1-[7-[(2-methylpyrazol-3-yl)amino]-1,6-naphthyridin-2-yl]propan-1-one (CID 121474161) is (3S)-3-(3-fluoro-4-methoxyphenyl)-3-(3-methylimidazol-4-yl)-1-[7-[(2-methylpyrazol-3-yl)amino]-1,6-naphthyridin-2-yl]propan-1-one.
What is the SMILES notation for (3S)-3-(3-fluoro-4-methoxyphenyl)-3-(3-methylimidazol-4-yl)-1-[7-[(2-methylpyrazol-3-yl)amino]-1,6-naphthyridin-2-yl]propan-1-one?
The canonical SMILES for (3S)-3-(3-fluoro-4-methoxyphenyl)-3-(3-methylimidazol-4-yl)-1-[7-[(2-methylpyrazol-3-yl)amino]-1,6-naphthyridin-2-yl]propan-1-one is COc1ccc([C@H](CC(=O)c2ccc3cnc(Nc4ccnn4C)cc3n2)c2cncn2C)cc1F.
What is the InChIKey of (3S)-3-(3-fluoro-4-methoxyphenyl)-3-(3-methylimidazol-4-yl)-1-[7-[(2-methylpyrazol-3-yl)amino]-1,6-naphthyridin-2-yl]propan-1-one?
The InChIKey is WSVMWDZGDISKSZ-SFHVURJKSA-N. The full InChI is InChI=1S/C26H24FN7O2/c1-33-15-28-14-22(33)18(16-5-7-24(36-3)19(27)10-16)11-23(35)20-6-4-17-13-29-25(12-21(17)31-20)32-26-8-9-30-34(26)2/h4-10,12-15,18H,11H2,1-3H3,(H,29,32)/t18-/m0/s1.
What are the key properties of (3S)-3-(3-fluoro-4-methoxyphenyl)-3-(3-methylimidazol-4-yl)-1-[7-[(2-methylpyrazol-3-yl)amino]-1,6-naphthyridin-2-yl]propan-1-one?
(3S)-3-(3-fluoro-4-methoxyphenyl)-3-(3-methylimidazol-4-yl)-1-[7-[(2-methylpyrazol-3-yl)amino]-1,6-naphthyridin-2-yl]propan-1-one has a molecular weight of 485.52 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-fluoro-4-methoxyphenyl)-3-(3-methylimidazol-4-yl)-1-[7-[(2-methylpyrazol-3-yl)amino]-1,6-naphthyridin-2-yl]propan-1-one is sourced from PubChem (CID 121474161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).