9-(7H-cyclopenta[b]pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione

C25H14F3N5O2 — CID 149390217

IUPAC9-(7H-cyclopenta[b]pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2cccc(C(F)(F)F)c2)c2c1cnc1ccc(-c3cnc4c(c3)C=CC4)nc12
InChIInChI=1S/C25H14F3N5O2/c26-25(27,28)15-4-2-5-16(10-15)33-22-17(23(34)32-24(33)35)12-30-20-8-7-19(31-21(20)22)14-9-13-3-1-6-18(13)29-11-14/h1-5,7-12H,6H2,(H,32,34,35)
InChIKeyYNJIMVUHQQTNNQ-UHFFFAOYSA-N
MW473.41 g/mol
LogP4.27
Rot. Bonds2

About 9-(7H-cyclopenta[b]pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione

9-(7H-cyclopenta[b]pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione (PubChem CID 149390217) has the molecular formula C25H14F3N5O2 and a molecular weight of 473.41 g/mol. Its IUPAC name is 9-(7H-cyclopenta[b]pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione.

Molecular Properties

Compound Name9-(7H-cyclopenta[b]pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
PubChem CID149390217
Molecular FormulaC25H14F3N5O2
Molecular Weight473.41 g/mol
Exact Mass473.11
IUPAC Name9-(7H-cyclopenta[b]pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2cccc(C(F)(F)F)c2)c2c1cnc1ccc(-c3cnc4c(c3)C=CC4)nc12
InChIInChI=1S/C25H14F3N5O2/c26-25(27,28)15-4-2-5-16(10-15)33-22-17(23(34)32-24(33)35)12-30-20-8-7-19(31-21(20)22)14-9-13-3-1-6-18(13)29-11-14/h1-5,7-12H,6H2,(H,32,34,35)
InChIKeyYNJIMVUHQQTNNQ-UHFFFAOYSA-N
XLogP4.27
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.41
LogP ≤ 54.27
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

5-(Trifluoromethyl)-6-(8-(5-(trifluoromethyl)pyridin-2-ylamino)pyrido[2,3-b]pyrazin-3-yl)nicotinamide
CID 46911175
3-methyl-1-(4-(4-propionylpiperazin-1-yl)-3-(trifluoromethyl)phenyl)-9-(quinolin-3-yl)pyrimido[5,4-c]quinoline-2,4(1H,3H)-dione
CID 46191628
US8653087, III-261
CID 68036003
4-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-N-(pyridin-2-ylmethyl)-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carboxamide
CID 9828452
4-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-N-pyridin-3-yl-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carboxamide
CID 10029563
6-(2-amino-4-pyridinyl)-4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-N-ethyl-1,5-naphthyridine-3-carboxamide
CID 156018757
5-[2-(7-amino-2,3-dimethylpyrido[3,4-b]pyrazin-8-yl)ethynyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 163486136
1-(7-fluoro-3-methyl-2-(2-pyridinyl)-4-quinolinyl)-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-6-carboxamide
CID 50938948
3-[[4-amino-2-(4-methylpiperazin-1-yl)pyrimido[5,4-d]pyrimidin-8-yl]amino]-4-methyl-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 68035570
US8653087, III-335
CID 68036094
US8653087, III-449
CID 68036248
5-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 71736014

Frequently Asked Questions

What is the IUPAC name of 9-(7H-cyclopenta[b]pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The IUPAC name of 9-(7H-cyclopenta[b]pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione (CID 149390217) is 9-(7H-cyclopenta[b]pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione.
What is the SMILES notation for 9-(7H-cyclopenta[b]pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The canonical SMILES for 9-(7H-cyclopenta[b]pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione is O=c1[nH]c(=O)n(-c2cccc(C(F)(F)F)c2)c2c1cnc1ccc(-c3cnc4c(c3)C=CC4)nc12.
What is the InChIKey of 9-(7H-cyclopenta[b]pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The InChIKey is YNJIMVUHQQTNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14F3N5O2/c26-25(27,28)15-4-2-5-16(10-15)33-22-17(23(34)32-24(33)35)12-30-20-8-7-19(31-21(20)22)14-9-13-3-1-6-18(13)29-11-14/h1-5,7-12H,6H2,(H,32,34,35).
What are the key properties of 9-(7H-cyclopenta[b]pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
9-(7H-cyclopenta[b]pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione has a molecular weight of 473.41 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(7H-cyclopenta[b]pyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione is sourced from PubChem (CID 149390217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).