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2-fluoro-N-[2-methoxy-3-[(2E,4Z)-4-methyl-6-methylidene-7-oxodeca-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide

C25H28FN3O3 — CID 171555884

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-fluoro-N-[2-methoxy-3-[(2E,4Z)-4-methyl-6-methylidene-7-oxodeca-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
SMILESC=C(/C=C(C)\C(=C/C)c1cc2cnc(NC(=O)C3CC3F)cc2nc1OC)C(=O)CCC
InChIInChI=1S/C25H28FN3O3/c1-6-8-22(30)15(4)9-14(3)17(7-2)18-10-16-13-27-23(12-21(16)28-25(18)32-5)29-24(31)19-11-20(19)26/h7,9-10,12-13,19-20H,4,6,8,11H2,1-3,5H3,(H,27,29,31)/b14-9-,17-7+
InChIKeyPRXJAFDMUDCWRN-BTCXCELDSA-N
MW437.52 g/mol
LogP5.21
Rot. Bonds9

About 2-fluoro-N-[2-methoxy-3-[(2E,4Z)-4-methyl-6-methylidene-7-oxodeca-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide

2-fluoro-N-[2-methoxy-3-[(2E,4Z)-4-methyl-6-methylidene-7-oxodeca-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide (PubChem CID 171555884) has the molecular formula C25H28FN3O3 and a molecular weight of 437.52 g/mol. Its IUPAC name is 2-fluoro-N-[2-methoxy-3-[(2E,4Z)-4-methyl-6-methylidene-7-oxodeca-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[2-methoxy-3-[(2E,4Z)-4-methyl-6-methylidene-7-oxodeca-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
PubChem CID171555884
Molecular FormulaC25H28FN3O3
Molecular Weight437.52 g/mol
Exact Mass437.21
IUPAC Name2-fluoro-N-[2-methoxy-3-[(2E,4Z)-4-methyl-6-methylidene-7-oxodeca-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
SMILESC=C(/C=C(C)\C(=C/C)c1cc2cnc(NC(=O)C3CC3F)cc2nc1OC)C(=O)CCC
InChIInChI=1S/C25H28FN3O3/c1-6-8-22(30)15(4)9-14(3)17(7-2)18-10-16-13-27-23(12-21(16)28-25(18)32-5)29-24(31)19-11-20(19)26/h7,9-10,12-13,19-20H,4,6,8,11H2,1-3,5H3,(H,27,29,31)/b14-9-,17-7+
InChIKeyPRXJAFDMUDCWRN-BTCXCELDSA-N
XLogP5.21
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.52
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-methoxy-3-[(2E,4Z)-4-methyl-6-methylidene-7-oxodeca-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-fluoro-N-[2-methoxy-3-[(2E,4Z)-4-methyl-6-methylidene-7-oxodeca-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide (CID 171555884) is 2-fluoro-N-[2-methoxy-3-[(2E,4Z)-4-methyl-6-methylidene-7-oxodeca-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-fluoro-N-[2-methoxy-3-[(2E,4Z)-4-methyl-6-methylidene-7-oxodeca-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-fluoro-N-[2-methoxy-3-[(2E,4Z)-4-methyl-6-methylidene-7-oxodeca-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide is C=C(/C=C(C)\C(=C/C)c1cc2cnc(NC(=O)C3CC3F)cc2nc1OC)C(=O)CCC.
What is the InChIKey of 2-fluoro-N-[2-methoxy-3-[(2E,4Z)-4-methyl-6-methylidene-7-oxodeca-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?
The InChIKey is PRXJAFDMUDCWRN-BTCXCELDSA-N. The full InChI is InChI=1S/C25H28FN3O3/c1-6-8-22(30)15(4)9-14(3)17(7-2)18-10-16-13-27-23(12-21(16)28-25(18)32-5)29-24(31)19-11-20(19)26/h7,9-10,12-13,19-20H,4,6,8,11H2,1-3,5H3,(H,27,29,31)/b14-9-,17-7+.
What are the key properties of 2-fluoro-N-[2-methoxy-3-[(2E,4Z)-4-methyl-6-methylidene-7-oxodeca-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?
2-fluoro-N-[2-methoxy-3-[(2E,4Z)-4-methyl-6-methylidene-7-oxodeca-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide has a molecular weight of 437.52 g/mol, XLogP of 5.21, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-methoxy-3-[(2E,4Z)-4-methyl-6-methylidene-7-oxodeca-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 171555884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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