5-amino-N-methyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]benzo[c][2,6]naphthyridine-9-carboxamide

C23H18F3N5O2 — CID 164867569

IUPAC5-amino-N-methyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]benzo[c][2,6]naphthyridine-9-carboxamide
SMILESCN(C(=O)c1ccc2nc(N)c3ccncc3c2c1)[C@@H]1COCc2nc(C(F)(F)F)ccc21
InChIInChI=1S/C23H18F3N5O2/c1-31(19-11-33-10-18-14(19)3-5-20(29-18)23(24,25)26)22(32)12-2-4-17-15(8-12)16-9-28-7-6-13(16)21(27)30-17/h2-9,19H,10-11H2,1H3,(H2,27,30)/t19-/m1/s1
InChIKeyHUVDIIOSRMYSDQ-LJQANCHMSA-N
MW453.42 g/mol
LogP4.12
Rot. Bonds2

About 5-amino-N-methyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]benzo[c][2,6]naphthyridine-9-carboxamide

5-amino-N-methyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]benzo[c][2,6]naphthyridine-9-carboxamide (PubChem CID 164867569) has the molecular formula C23H18F3N5O2 and a molecular weight of 453.42 g/mol. Its IUPAC name is 5-amino-N-methyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]benzo[c][2,6]naphthyridine-9-carboxamide.

Molecular Properties

Compound Name5-amino-N-methyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]benzo[c][2,6]naphthyridine-9-carboxamide
PubChem CID164867569
Molecular FormulaC23H18F3N5O2
Molecular Weight453.42 g/mol
Exact Mass453.14
IUPAC Name5-amino-N-methyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]benzo[c][2,6]naphthyridine-9-carboxamide
SMILESCN(C(=O)c1ccc2nc(N)c3ccncc3c2c1)[C@@H]1COCc2nc(C(F)(F)F)ccc21
InChIInChI=1S/C23H18F3N5O2/c1-31(19-11-33-10-18-14(19)3-5-20(29-18)23(24,25)26)22(32)12-2-4-17-15(8-12)16-9-28-7-6-13(16)21(27)30-17/h2-9,19H,10-11H2,1H3,(H2,27,30)/t19-/m1/s1
InChIKeyHUVDIIOSRMYSDQ-LJQANCHMSA-N
XLogP4.12
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-amino-N,3-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-2H-pyrazolo[4,3-c][1,7]naphthyridine-8-carboxamide
CID 164867180
4-amino-7-fluoro-N,1,3-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 164866965
4-amino-7-(methoxymethyl)-N,1-dimethyl-N-[2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 176898486
4-amino-N,1-dimethyl-N-[3-(trifluoromethyl)-8,10-dihydro-7H-pyrano[4,3-h]quinolin-7-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 177043091
4-amino-N-[(5S)-2-ethoxy-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]-N,3-dimethylpyrazolo[5,4-c]quinoline-8-carboxamide
CID 164867158
4-amino-N,1-dimethyl-N-[(3S)-6-[6-(trifluoromethyl)-2-pyridinyl]-2,3-dihydro-1-benzofuran-3-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 164867064
4-amino-N,3-dimethyl-N-[(3R)-6-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]pyrazolo[5,4-c]quinoline-8-carboxamide
CID 170429721
4-amino-N-(7-bromo-3,4-dihydro-1H-isochromen-4-yl)-N,1-dimethylpyrazolo[4,5-c]quinoline-8-carboxamide
CID 164867177
4-amino-N,3-dimethyl-N-[(1R,4S)-1-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isochromen-4-yl]pyrazolo[5,4-c]quinoline-8-carboxamide
CID 170556805
4-amino-N-[(3R)-6-methoxy-2,3-dihydrofuro[2,3-b]pyridin-3-yl]-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 164867366
4-amino-N,1-dimethyl-N-[(3S)-5-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-3-yl]pyrazolo[4,5-c]quinoline-8-carboxamide
CID 170429701
4-amino-N-[(3S)-6-(N,S-dimethylsulfonimidoyl)-2,3-dihydro-1-benzofuran-3-yl]-N-methyl-1,3-dihydrofuro[3,4-c]quinoline-8-carboxamide
CID 164866886

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]benzo[c][2,6]naphthyridine-9-carboxamide?
The IUPAC name of 5-amino-N-methyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]benzo[c][2,6]naphthyridine-9-carboxamide (CID 164867569) is 5-amino-N-methyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]benzo[c][2,6]naphthyridine-9-carboxamide.
What is the SMILES notation for 5-amino-N-methyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]benzo[c][2,6]naphthyridine-9-carboxamide?
The canonical SMILES for 5-amino-N-methyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]benzo[c][2,6]naphthyridine-9-carboxamide is CN(C(=O)c1ccc2nc(N)c3ccncc3c2c1)[C@@H]1COCc2nc(C(F)(F)F)ccc21.
What is the InChIKey of 5-amino-N-methyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]benzo[c][2,6]naphthyridine-9-carboxamide?
The InChIKey is HUVDIIOSRMYSDQ-LJQANCHMSA-N. The full InChI is InChI=1S/C23H18F3N5O2/c1-31(19-11-33-10-18-14(19)3-5-20(29-18)23(24,25)26)22(32)12-2-4-17-15(8-12)16-9-28-7-6-13(16)21(27)30-17/h2-9,19H,10-11H2,1H3,(H2,27,30)/t19-/m1/s1.
What are the key properties of 5-amino-N-methyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]benzo[c][2,6]naphthyridine-9-carboxamide?
5-amino-N-methyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]benzo[c][2,6]naphthyridine-9-carboxamide has a molecular weight of 453.42 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]benzo[c][2,6]naphthyridine-9-carboxamide is sourced from PubChem (CID 164867569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).