7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[6-(2,2,2-trifluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine

C25H27F3N8O — CID 170324549

IUPAC7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[6-(2,2,2-trifluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
SMILESCc1c(N2CCc3cnc(Nc4cnc5c(c4)CN(CC(F)(F)F)CC5)nc3C2)cnc2c1NCCO2
InChIInChI=1S/C25H27F3N8O/c1-15-21(11-31-23-22(15)29-4-7-37-23)36-6-2-16-9-32-24(34-20(16)13-36)33-18-8-17-12-35(14-25(26,27)28)5-3-19(17)30-10-18/h8-11,29H,2-7,12-14H2,1H3,(H,32,33,34)
InChIKeyQGNNWALPLLAXRC-UHFFFAOYSA-N
MW512.54 g/mol
LogP3.61
Rot. Bonds4

About 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[6-(2,2,2-trifluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine

7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[6-(2,2,2-trifluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine (PubChem CID 170324549) has the molecular formula C25H27F3N8O and a molecular weight of 512.54 g/mol. Its IUPAC name is 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[6-(2,2,2-trifluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[6-(2,2,2-trifluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
PubChem CID170324549
Molecular FormulaC25H27F3N8O
Molecular Weight512.54 g/mol
Exact Mass512.23
IUPAC Name7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[6-(2,2,2-trifluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
SMILESCc1c(N2CCc3cnc(Nc4cnc5c(c4)CN(CC(F)(F)F)CC5)nc3C2)cnc2c1NCCO2
InChIInChI=1S/C25H27F3N8O/c1-15-21(11-31-23-22(15)29-4-7-37-23)36-6-2-16-9-32-24(34-20(16)13-36)33-18-8-17-12-35(14-25(26,27)28)5-3-19(17)30-10-18/h8-11,29H,2-7,12-14H2,1H3,(H,32,33,34)
InChIKeyQGNNWALPLLAXRC-UHFFFAOYSA-N
XLogP3.61
TPSA91.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.54
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[6-(2,2,2-trifluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[6-(2,2,2-trifluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[6-(2,2,2-trifluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine (CID 170324549) is 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[6-(2,2,2-trifluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[6-(2,2,2-trifluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[6-(2,2,2-trifluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine is Cc1c(N2CCc3cnc(Nc4cnc5c(c4)CN(CC(F)(F)F)CC5)nc3C2)cnc2c1NCCO2.
What is the InChIKey of 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[6-(2,2,2-trifluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is QGNNWALPLLAXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N8O/c1-15-21(11-31-23-22(15)29-4-7-37-23)36-6-2-16-9-32-24(34-20(16)13-36)33-18-8-17-12-35(14-25(26,27)28)5-3-19(17)30-10-18/h8-11,29H,2-7,12-14H2,1H3,(H,32,33,34).
What are the key properties of 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[6-(2,2,2-trifluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine?
7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[6-(2,2,2-trifluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 512.54 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[6-(2,2,2-trifluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 170324549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).