4-(4-fluorophenyl)-7-[[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide

C22H24F4N4O — CID 118911190

IUPAC4-(4-fluorophenyl)-7-[[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c2c(n1)CN(C[C@@H]1CCN[C@H](C(F)(F)F)C1)CC2
InChIInChI=1S/C22H24F4N4O/c23-15-3-1-14(2-4-15)17-10-18(21(27)31)29-19-12-30(8-6-16(17)19)11-13-5-7-28-20(9-13)22(24,25)26/h1-4,10,13,20,28H,5-9,11-12H2,(H2,27,31)/t13-,20+/m1/s1
InChIKeyBQSKXYSQLOPMHE-XCLFUZPHSA-N
MW436.45 g/mol
LogP3.28
Rot. Bonds4

About 4-(4-fluorophenyl)-7-[[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide

4-(4-fluorophenyl)-7-[[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (PubChem CID 118911190) has the molecular formula C22H24F4N4O and a molecular weight of 436.45 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-7-[[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-7-[[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
PubChem CID118911190
Molecular FormulaC22H24F4N4O
Molecular Weight436.45 g/mol
Exact Mass436.19
IUPAC Name4-(4-fluorophenyl)-7-[[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c2c(n1)CN(C[C@@H]1CCN[C@H](C(F)(F)F)C1)CC2
InChIInChI=1S/C22H24F4N4O/c23-15-3-1-14(2-4-15)17-10-18(21(27)31)29-19-12-30(8-6-16(17)19)11-13-5-7-28-20(9-13)22(24,25)26/h1-4,10,13,20,28H,5-9,11-12H2,(H2,27,31)/t13-,20+/m1/s1
InChIKeyBQSKXYSQLOPMHE-XCLFUZPHSA-N
XLogP3.28
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.45
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)-7-[(3-methylsulfinylphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 154985629
4-(4-chloro-2-fluorophenyl)-7-[[(4S)-2,2-dimethyloxan-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 118902472
4-(2,4-difluorophenyl)-7-[(1-methyltetrazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 118911297
4-(2,4-difluorophenyl)-7-[(3-fluoro-5,5-dimethyloxolan-3-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 118902417
(2S)-2-(difluoromethoxymethyl)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
CID 134363916
4-(2,4-dimethylphenyl)-7-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 118911208
7-[(3-tert-butyltriazol-4-yl)methyl]-4-(4-chloro-2,6-difluorophenyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 118913157
4-(4-fluorophenyl)-7-[[2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 71565884
7-(4-fluorophenyl)-2-(pyrrolidin-1-ylmethyl)thieno[3,2-b]pyridine-5-carboxamide
CID 155553540
1-[7-[(E)-4-ethenylimino-2,5,5-trimethylhex-2-enyl]-4-(4-methylphenyl)-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethenamine
CID 145025497
(2R)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
CID 159230599
(2S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S)-2-(difluoromethoxymethyl)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R)-2-(difluoromethoxymethyl)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R)-2-(difluoromethoxymethyl)-5-(2-methyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
CID 161065883

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-7-[[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-7-[[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (CID 118911190) is 4-(4-fluorophenyl)-7-[[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-7-[[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-7-[[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is NC(=O)c1cc(-c2ccc(F)cc2)c2c(n1)CN(C[C@@H]1CCN[C@H](C(F)(F)F)C1)CC2.
What is the InChIKey of 4-(4-fluorophenyl)-7-[[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The InChIKey is BQSKXYSQLOPMHE-XCLFUZPHSA-N. The full InChI is InChI=1S/C22H24F4N4O/c23-15-3-1-14(2-4-15)17-10-18(21(27)31)29-19-12-30(8-6-16(17)19)11-13-5-7-28-20(9-13)22(24,25)26/h1-4,10,13,20,28H,5-9,11-12H2,(H2,27,31)/t13-,20+/m1/s1.
What are the key properties of 4-(4-fluorophenyl)-7-[[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
4-(4-fluorophenyl)-7-[[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide has a molecular weight of 436.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-7-[[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 118911190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).