8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-N-piperidin-4-yl-1,7-naphthyridin-2-amine

C25H20Cl2F2N4 — CID 24898100

IUPAC8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-N-piperidin-4-yl-1,7-naphthyridin-2-amine
SMILESFc1ccc(-c2cc(NC3CCNCC3)nc3c(-c4c(Cl)cccc4Cl)nccc23)c(F)c1
InChIInChI=1S/C25H20Cl2F2N4/c26-19-2-1-3-20(27)23(19)25-24-17(8-11-31-25)18(16-5-4-14(28)12-21(16)29)13-22(33-24)32-15-6-9-30-10-7-15/h1-5,8,11-13,15,30H,6-7,9-10H2,(H,32,33)
InChIKeyGRYCEENGXSWQDD-UHFFFAOYSA-N
MW485.37 g/mol
LogP6.71
Rot. Bonds4

About 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-N-piperidin-4-yl-1,7-naphthyridin-2-amine

8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-N-piperidin-4-yl-1,7-naphthyridin-2-amine (PubChem CID 24898100) has the molecular formula C25H20Cl2F2N4 and a molecular weight of 485.37 g/mol. Its IUPAC name is 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-N-piperidin-4-yl-1,7-naphthyridin-2-amine.

Molecular Properties

Compound Name8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-N-piperidin-4-yl-1,7-naphthyridin-2-amine
PubChem CID24898100
Molecular FormulaC25H20Cl2F2N4
Molecular Weight485.37 g/mol
Exact Mass484.10
IUPAC Name8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-N-piperidin-4-yl-1,7-naphthyridin-2-amine
SMILESFc1ccc(-c2cc(NC3CCNCC3)nc3c(-c4c(Cl)cccc4Cl)nccc23)c(F)c1
InChIInChI=1S/C25H20Cl2F2N4/c26-19-2-1-3-20(27)23(19)25-24-17(8-11-31-25)18(16-5-4-14(28)12-21(16)29)13-22(33-24)32-15-6-9-30-10-7-15/h1-5,8,11-13,15,30H,6-7,9-10H2,(H,32,33)
InChIKeyGRYCEENGXSWQDD-UHFFFAOYSA-N
XLogP6.71
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.37
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-N-piperidin-4-yl-1,7-naphthyridin-2-amine?
The IUPAC name of 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-N-piperidin-4-yl-1,7-naphthyridin-2-amine (CID 24898100) is 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-N-piperidin-4-yl-1,7-naphthyridin-2-amine.
What is the SMILES notation for 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-N-piperidin-4-yl-1,7-naphthyridin-2-amine?
The canonical SMILES for 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-N-piperidin-4-yl-1,7-naphthyridin-2-amine is Fc1ccc(-c2cc(NC3CCNCC3)nc3c(-c4c(Cl)cccc4Cl)nccc23)c(F)c1.
What is the InChIKey of 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-N-piperidin-4-yl-1,7-naphthyridin-2-amine?
The InChIKey is GRYCEENGXSWQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2F2N4/c26-19-2-1-3-20(27)23(19)25-24-17(8-11-31-25)18(16-5-4-14(28)12-21(16)29)13-22(33-24)32-15-6-9-30-10-7-15/h1-5,8,11-13,15,30H,6-7,9-10H2,(H,32,33).
What are the key properties of 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-N-piperidin-4-yl-1,7-naphthyridin-2-amine?
8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-N-piperidin-4-yl-1,7-naphthyridin-2-amine has a molecular weight of 485.37 g/mol, XLogP of 6.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-N-piperidin-4-yl-1,7-naphthyridin-2-amine is sourced from PubChem (CID 24898100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).