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

C24H16F3N5O3 — CID 118328983

IUPAC9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILESCn1c(=O)c2cnc3ccc(-c4ccc(CO)nc4)nc3c2n(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C24H16F3N5O3/c1-31-22(34)17-11-29-19-8-7-18(13-5-6-15(12-33)28-10-13)30-20(19)21(17)32(23(31)35)16-4-2-3-14(9-16)24(25,26)27/h2-11,33H,12H2,1H3
InChIKeyGVPSLMMVIQXHRY-UHFFFAOYSA-N
MW479.42 g/mol
LogP3.21
Rot. Bonds3

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

9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione (PubChem CID 118328983) has the molecular formula C24H16F3N5O3 and a molecular weight of 479.42 g/mol. Its IUPAC name is 9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione.

Molecular Properties

Compound Name9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
PubChem CID118328983
Molecular FormulaC24H16F3N5O3
Molecular Weight479.42 g/mol
Exact Mass479.12
IUPAC Name9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILESCn1c(=O)c2cnc3ccc(-c4ccc(CO)nc4)nc3c2n(-c2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C24H16F3N5O3/c1-31-22(34)17-11-29-19-8-7-18(13-5-6-15(12-33)28-10-13)30-20(19)21(17)32(23(31)35)16-4-2-3-14(9-16)24(25,26)27/h2-11,33H,12H2,1H3
InChIKeyGVPSLMMVIQXHRY-UHFFFAOYSA-N
XLogP3.21
TPSA102.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.42
LogP ≤ 53.21
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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Frequently Asked Questions

What is the IUPAC name of 9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The IUPAC name of 9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione (CID 118328983) is 9-[6-(hydroxymethyl)-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-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The canonical SMILES for 9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione is Cn1c(=O)c2cnc3ccc(-c4ccc(CO)nc4)nc3c2n(-c2cccc(C(F)(F)F)c2)c1=O.
What is the InChIKey of 9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The InChIKey is GVPSLMMVIQXHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N5O3/c1-31-22(34)17-11-29-19-8-7-18(13-5-6-15(12-33)28-10-13)30-20(19)21(17)32(23(31)35)16-4-2-3-14(9-16)24(25,26)27/h2-11,33H,12H2,1H3.
What are the key properties of 9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione has a molecular weight of 479.42 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(hydroxymethyl)-3-pyridinyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione is sourced from PubChem (CID 118328983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).