3-[5-[(4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl]-6-(3,5-dichlorophenyl)-1,8-naphthyridin-3-yl]pyridin-2-amine

C26H24Cl2N6O — CID 145443489

IUPAC3-[5-[(4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl]-6-(3,5-dichlorophenyl)-1,8-naphthyridin-3-yl]pyridin-2-amine
SMILESNc1ncccc1-c1cnc2ncc(-c3cc(Cl)cc(Cl)c3)c(N3CC[C@@H]4NCCO[C@H]4C3)c2c1
InChIInChI=1S/C26H24Cl2N6O/c27-17-8-15(9-18(28)11-17)21-13-33-26-20(10-16(12-32-26)19-2-1-4-31-25(19)29)24(21)34-6-3-22-23(14-34)35-7-5-30-22/h1-2,4,8-13,22-23,30H,3,5-7,14H2,(H2,29,31)/t22-,23-/m0/s1
InChIKeyBIPOULPVMFFSNS-GOTSBHOMSA-N
MW507.43 g/mol
LogP4.81
Rot. Bonds3

About 3-[5-[(4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl]-6-(3,5-dichlorophenyl)-1,8-naphthyridin-3-yl]pyridin-2-amine

3-[5-[(4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl]-6-(3,5-dichlorophenyl)-1,8-naphthyridin-3-yl]pyridin-2-amine (PubChem CID 145443489) has the molecular formula C26H24Cl2N6O and a molecular weight of 507.43 g/mol. Its IUPAC name is 3-[5-[(4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl]-6-(3,5-dichlorophenyl)-1,8-naphthyridin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[5-[(4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl]-6-(3,5-dichlorophenyl)-1,8-naphthyridin-3-yl]pyridin-2-amine
PubChem CID145443489
Molecular FormulaC26H24Cl2N6O
Molecular Weight507.43 g/mol
Exact Mass506.14
IUPAC Name3-[5-[(4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl]-6-(3,5-dichlorophenyl)-1,8-naphthyridin-3-yl]pyridin-2-amine
SMILESNc1ncccc1-c1cnc2ncc(-c3cc(Cl)cc(Cl)c3)c(N3CC[C@@H]4NCCO[C@H]4C3)c2c1
InChIInChI=1S/C26H24Cl2N6O/c27-17-8-15(9-18(28)11-17)21-13-33-26-20(10-16(12-32-26)19-2-1-4-31-25(19)29)24(21)34-6-3-22-23(14-34)35-7-5-30-22/h1-2,4,8-13,22-23,30H,3,5-7,14H2,(H2,29,31)/t22-,23-/m0/s1
InChIKeyBIPOULPVMFFSNS-GOTSBHOMSA-N
XLogP4.81
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.43
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[5-[(4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl]-6-(3,5-dichlorophenyl)-1,8-naphthyridin-3-yl]pyridin-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 3-[5-[(4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl]-6-(3,5-dichlorophenyl)-1,8-naphthyridin-3-yl]pyridin-2-amine?
The IUPAC name of 3-[5-[(4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl]-6-(3,5-dichlorophenyl)-1,8-naphthyridin-3-yl]pyridin-2-amine (CID 145443489) is 3-[5-[(4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl]-6-(3,5-dichlorophenyl)-1,8-naphthyridin-3-yl]pyridin-2-amine.
What is the SMILES notation for 3-[5-[(4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl]-6-(3,5-dichlorophenyl)-1,8-naphthyridin-3-yl]pyridin-2-amine?
The canonical SMILES for 3-[5-[(4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl]-6-(3,5-dichlorophenyl)-1,8-naphthyridin-3-yl]pyridin-2-amine is Nc1ncccc1-c1cnc2ncc(-c3cc(Cl)cc(Cl)c3)c(N3CC[C@@H]4NCCO[C@H]4C3)c2c1.
What is the InChIKey of 3-[5-[(4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl]-6-(3,5-dichlorophenyl)-1,8-naphthyridin-3-yl]pyridin-2-amine?
The InChIKey is BIPOULPVMFFSNS-GOTSBHOMSA-N. The full InChI is InChI=1S/C26H24Cl2N6O/c27-17-8-15(9-18(28)11-17)21-13-33-26-20(10-16(12-32-26)19-2-1-4-31-25(19)29)24(21)34-6-3-22-23(14-34)35-7-5-30-22/h1-2,4,8-13,22-23,30H,3,5-7,14H2,(H2,29,31)/t22-,23-/m0/s1.
What are the key properties of 3-[5-[(4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl]-6-(3,5-dichlorophenyl)-1,8-naphthyridin-3-yl]pyridin-2-amine?
3-[5-[(4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl]-6-(3,5-dichlorophenyl)-1,8-naphthyridin-3-yl]pyridin-2-amine has a molecular weight of 507.43 g/mol, XLogP of 4.81, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(4aS,8aS)-1,2,3,4a,5,7,8,8a-octahydropyrido[3,4-b][1,4]oxazin-6-yl]-6-(3,5-dichlorophenyl)-1,8-naphthyridin-3-yl]pyridin-2-amine is sourced from PubChem (CID 145443489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).