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

C25H28F2N8O — CID 170324643

IUPACN-[6-(2,2-difluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
SMILESCc1c(N2CCc3cnc(Nc4cnc5c(c4)CN(CC(F)F)CC5)nc3C2)cnc2c1NCCO2
InChIInChI=1S/C25H28F2N8O/c1-15-21(11-30-24-23(15)28-4-7-36-24)35-6-2-16-9-31-25(33-20(16)13-35)32-18-8-17-12-34(14-22(26)27)5-3-19(17)29-10-18/h8-11,22,28H,2-7,12-14H2,1H3,(H,31,32,33)
InChIKeyARRPPUMQOZOULL-UHFFFAOYSA-N
MW494.55 g/mol
LogP3.31
Rot. Bonds5

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

N-[6-(2,2-difluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine (PubChem CID 170324643) has the molecular formula C25H28F2N8O and a molecular weight of 494.55 g/mol. Its IUPAC name is N-[6-(2,2-difluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[6-(2,2-difluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
PubChem CID170324643
Molecular FormulaC25H28F2N8O
Molecular Weight494.55 g/mol
Exact Mass494.24
IUPAC NameN-[6-(2,2-difluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
SMILESCc1c(N2CCc3cnc(Nc4cnc5c(c4)CN(CC(F)F)CC5)nc3C2)cnc2c1NCCO2
InChIInChI=1S/C25H28F2N8O/c1-15-21(11-30-24-23(15)28-4-7-36-24)35-6-2-16-9-31-25(33-20(16)13-35)32-18-8-17-12-34(14-22(26)27)5-3-19(17)29-10-18/h8-11,22,28H,2-7,12-14H2,1H3,(H,31,32,33)
InChIKeyARRPPUMQOZOULL-UHFFFAOYSA-N
XLogP3.31
TPSA91.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2,2-difluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of N-[6-(2,2-difluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine (CID 170324643) is N-[6-(2,2-difluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for N-[6-(2,2-difluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for N-[6-(2,2-difluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine is Cc1c(N2CCc3cnc(Nc4cnc5c(c4)CN(CC(F)F)CC5)nc3C2)cnc2c1NCCO2.
What is the InChIKey of N-[6-(2,2-difluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is ARRPPUMQOZOULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N8O/c1-15-21(11-30-24-23(15)28-4-7-36-24)35-6-2-16-9-31-25(33-20(16)13-35)32-18-8-17-12-34(14-22(26)27)5-3-19(17)29-10-18/h8-11,22,28H,2-7,12-14H2,1H3,(H,31,32,33).
What are the key properties of N-[6-(2,2-difluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine?
N-[6-(2,2-difluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 494.55 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,2-difluoroethyl)-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 170324643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).