9-(6-amino-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione

C23H15F3N6O2 — CID 73438157

IUPAC9-(6-amino-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILESCn1c(=O)c2cnc3ccc(-c4ccc(N)nc4)nc3c2n(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C23H15F3N6O2/c1-31-21(33)15-11-28-17-7-6-16(12-5-8-18(27)29-10-12)30-19(17)20(15)32(22(31)34)14-4-2-3-13(9-14)23(24,25)26/h2-11H,1H3,(H2,27,29)
InChIKeyMTOZTLWHHAIRTM-UHFFFAOYSA-N
MW464.41 g/mol
LogP3.30
Rot. Bonds2

About 9-(6-amino-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione

9-(6-amino-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione (PubChem CID 73438157) has the molecular formula C23H15F3N6O2 and a molecular weight of 464.41 g/mol. Its IUPAC name is 9-(6-amino-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione.

Molecular Properties

Compound Name9-(6-amino-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
PubChem CID73438157
Molecular FormulaC23H15F3N6O2
Molecular Weight464.41 g/mol
Exact Mass464.12
IUPAC Name9-(6-amino-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILESCn1c(=O)c2cnc3ccc(-c4ccc(N)nc4)nc3c2n(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C23H15F3N6O2/c1-31-21(33)15-11-28-17-7-6-16(12-5-8-18(27)29-10-12)30-19(17)20(15)32(22(31)34)14-4-2-3-13(9-14)23(24,25)26/h2-11H,1H3,(H2,27,29)
InChIKeyMTOZTLWHHAIRTM-UHFFFAOYSA-N
XLogP3.30
TPSA108.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

8-Amino-N-[1-(Cyclopropylcarbonyl)azetidin-3-Yl]-2-(3-Fluorophenyl)-1,7-Naphthyridine-5-Carboxamide
CID 89730041
5-(Trifluoromethyl)-6-(8-(5-(trifluoromethyl)pyridin-2-ylamino)pyrido[2,3-b]pyrazin-3-yl)nicotinamide
CID 46911175
8-amino-N-cyclopropyl-2-(3-fluorophenyl)-1,7-naphthyridine-5-carboxamide
CID 71657853
8-amino-2-(3-fluorophenyl)-N-(1-propanoylazetidin-3-yl)-1,7-naphthyridine-5-carboxamide
CID 89730033
8-amino-2-(3-fluorophenyl)-N-(1-(methylcarbamoyl)azetidin-3-yl)-1,7-naphthyridine-5-carboxamide
CID 89730039
2-(2,6-Difluorophenyl)-4-[[5-(4,4-difluoropiperidin-1-yl)pyridin-2-yl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118341404
9-(6-Amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4a,5,6,6a,7,8,9,10,10a,10b-decahydropyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 129012341
N-[5-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]-2-pyridinyl]benzamide
CID 44206601
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
N-[6-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]-3-pyridinyl]benzamide
CID 58168083
N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]pyridine-3-carboxamide
CID 66836474
N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]benzamide
CID 66836490

Frequently Asked Questions

What is the IUPAC name of 9-(6-amino-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The IUPAC name of 9-(6-amino-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione (CID 73438157) is 9-(6-amino-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione.
What is the SMILES notation for 9-(6-amino-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The canonical SMILES for 9-(6-amino-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione is Cn1c(=O)c2cnc3ccc(-c4ccc(N)nc4)nc3c2n(-c2cccc(C(F)(F)F)c2)c1=O.
What is the InChIKey of 9-(6-amino-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The InChIKey is MTOZTLWHHAIRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N6O2/c1-31-21(33)15-11-28-17-7-6-16(12-5-8-18(27)29-10-12)30-19(17)20(15)32(22(31)34)14-4-2-3-13(9-14)23(24,25)26/h2-11H,1H3,(H2,27,29).
What are the key properties of 9-(6-amino-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
9-(6-amino-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione has a molecular weight of 464.41 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-amino-3-pyridinyl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione is sourced from PubChem (CID 73438157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).