N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-1-methyl-4-oxo-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide

C30H23F2N5O3 — CID 155562258

IUPACN-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-1-methyl-4-oxo-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
SMILESCn1cc(-c2ccc(F)cc2)c(=O)c2c(Nc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)c(F)c3)nccc21
InChIInChI=1S/C30H23F2N5O3/c1-37-16-22(17-4-6-19(31)7-5-17)28(38)27-24(37)11-13-34-29(27)35-20-8-9-25(23(32)14-20)40-21-10-12-33-26(15-21)36-30(39)18-2-3-18/h4-16,18H,2-3H2,1H3,(H,34,35)(H,33,36,39)
InChIKeyHTZHPXKKPOLGTR-UHFFFAOYSA-N
MW539.54 g/mol
LogP6.16
Rot. Bonds7

About N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-1-methyl-4-oxo-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide

N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-1-methyl-4-oxo-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 155562258) has the molecular formula C30H23F2N5O3 and a molecular weight of 539.54 g/mol. Its IUPAC name is N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-1-methyl-4-oxo-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-1-methyl-4-oxo-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID155562258
Molecular FormulaC30H23F2N5O3
Molecular Weight539.54 g/mol
Exact Mass539.18
IUPAC NameN-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-1-methyl-4-oxo-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
SMILESCn1cc(-c2ccc(F)cc2)c(=O)c2c(Nc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)c(F)c3)nccc21
InChIInChI=1S/C30H23F2N5O3/c1-37-16-22(17-4-6-19(31)7-5-17)28(38)27-24(37)11-13-34-29(27)35-20-8-9-25(23(32)14-20)40-21-10-12-33-26(15-21)36-30(39)18-2-3-18/h4-16,18H,2-3H2,1H3,(H,34,35)(H,33,36,39)
InChIKeyHTZHPXKKPOLGTR-UHFFFAOYSA-N
XLogP6.16
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.54
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-1-methyl-4-oxo-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-1-methyl-4-oxo-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide (CID 155562258) is N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-1-methyl-4-oxo-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-1-methyl-4-oxo-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-1-methyl-4-oxo-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide is Cn1cc(-c2ccc(F)cc2)c(=O)c2c(Nc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)c(F)c3)nccc21.
What is the InChIKey of N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-1-methyl-4-oxo-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is HTZHPXKKPOLGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F2N5O3/c1-37-16-22(17-4-6-19(31)7-5-17)28(38)27-24(37)11-13-34-29(27)35-20-8-9-25(23(32)14-20)40-21-10-12-33-26(15-21)36-30(39)18-2-3-18/h4-16,18H,2-3H2,1H3,(H,34,35)(H,33,36,39).
What are the key properties of N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-1-methyl-4-oxo-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-1-methyl-4-oxo-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 539.54 g/mol, XLogP of 6.16, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-1-methyl-4-oxo-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 155562258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).