5-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3-fluoroanilino]-3-(4-fluorophenyl)-1-propan-2-yl-1,6-naphthyridin-4-one

C32H27F2N7O — CID 170453127

IUPAC5-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3-fluoroanilino]-3-(4-fluorophenyl)-1-propan-2-yl-1,6-naphthyridin-4-one
SMILESCC(C)n1cc(-c2ccc(F)cc2)c(=O)c2c(Nc3ccc(-c4cc(-c5cnn(C)c5)cnc4N)c(F)c3)nccc21
InChIInChI=1S/C32H27F2N7O/c1-18(2)41-17-26(19-4-6-22(33)7-5-19)30(42)29-28(41)10-11-36-32(29)39-23-8-9-24(27(34)13-23)25-12-20(14-37-31(25)35)21-15-38-40(3)16-21/h4-18H,1-3H3,(H2,35,37)(H,36,39)
InChIKeyQRXBXCDTVFXBIK-UHFFFAOYSA-N
MW563.61 g/mol
LogP6.71
Rot. Bonds6

About 5-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3-fluoroanilino]-3-(4-fluorophenyl)-1-propan-2-yl-1,6-naphthyridin-4-one

5-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3-fluoroanilino]-3-(4-fluorophenyl)-1-propan-2-yl-1,6-naphthyridin-4-one (PubChem CID 170453127) has the molecular formula C32H27F2N7O and a molecular weight of 563.61 g/mol. Its IUPAC name is 5-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3-fluoroanilino]-3-(4-fluorophenyl)-1-propan-2-yl-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name5-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3-fluoroanilino]-3-(4-fluorophenyl)-1-propan-2-yl-1,6-naphthyridin-4-one
PubChem CID170453127
Molecular FormulaC32H27F2N7O
Molecular Weight563.61 g/mol
Exact Mass563.22
IUPAC Name5-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3-fluoroanilino]-3-(4-fluorophenyl)-1-propan-2-yl-1,6-naphthyridin-4-one
SMILESCC(C)n1cc(-c2ccc(F)cc2)c(=O)c2c(Nc3ccc(-c4cc(-c5cnn(C)c5)cnc4N)c(F)c3)nccc21
InChIInChI=1S/C32H27F2N7O/c1-18(2)41-17-26(19-4-6-22(33)7-5-19)30(42)29-28(41)10-11-36-32(29)39-23-8-9-24(27(34)13-23)25-12-20(14-37-31(25)35)21-15-38-40(3)16-21/h4-18H,1-3H3,(H2,35,37)(H,36,39)
InChIKeyQRXBXCDTVFXBIK-UHFFFAOYSA-N
XLogP6.71
TPSA103.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.61
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3-fluoroanilino]-3-(4-fluorophenyl)-1-propan-2-yl-1,6-naphthyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3-fluoroanilino]-3-(4-fluorophenyl)-1-propan-2-yl-1,6-naphthyridin-4-one?
The IUPAC name of 5-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3-fluoroanilino]-3-(4-fluorophenyl)-1-propan-2-yl-1,6-naphthyridin-4-one (CID 170453127) is 5-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3-fluoroanilino]-3-(4-fluorophenyl)-1-propan-2-yl-1,6-naphthyridin-4-one.
What is the SMILES notation for 5-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3-fluoroanilino]-3-(4-fluorophenyl)-1-propan-2-yl-1,6-naphthyridin-4-one?
The canonical SMILES for 5-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3-fluoroanilino]-3-(4-fluorophenyl)-1-propan-2-yl-1,6-naphthyridin-4-one is CC(C)n1cc(-c2ccc(F)cc2)c(=O)c2c(Nc3ccc(-c4cc(-c5cnn(C)c5)cnc4N)c(F)c3)nccc21.
What is the InChIKey of 5-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3-fluoroanilino]-3-(4-fluorophenyl)-1-propan-2-yl-1,6-naphthyridin-4-one?
The InChIKey is QRXBXCDTVFXBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27F2N7O/c1-18(2)41-17-26(19-4-6-22(33)7-5-19)30(42)29-28(41)10-11-36-32(29)39-23-8-9-24(27(34)13-23)25-12-20(14-37-31(25)35)21-15-38-40(3)16-21/h4-18H,1-3H3,(H2,35,37)(H,36,39).
What are the key properties of 5-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3-fluoroanilino]-3-(4-fluorophenyl)-1-propan-2-yl-1,6-naphthyridin-4-one?
5-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3-fluoroanilino]-3-(4-fluorophenyl)-1-propan-2-yl-1,6-naphthyridin-4-one has a molecular weight of 563.61 g/mol, XLogP of 6.71, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-3-fluoroanilino]-3-(4-fluorophenyl)-1-propan-2-yl-1,6-naphthyridin-4-one is sourced from PubChem (CID 170453127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).