5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzaldehyde;methanamine

C33H38F3N5O4 — CID 144764295

IUPAC5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzaldehyde;methanamine
SMILESCCN1CCN(Cc2ccc(C=O)cc2C(F)(F)F)CC1.CN.O=C1CCc2c(Oc3ccc4c(c3)C3CC3O4)ccnc2N1
InChIInChI=1S/C17H14N2O3.C15H19F3N2O.CH5N/c20-16-4-2-10-14(5-6-18-17(10)19-16)21-9-1-3-13-11(7-9)12-8-15(12)22-13;1-2-19-5-7-20(8-6-19)10-13-4-3-12(11-21)9-14(13)15(16,17)18;1-2/h1,3,5-7,12,15H,2,4,8H2,(H,18,19,20);3-4,9,11H,2,5-8,10H2,1H3;2H2,1H3
InChIKeyLBXNUJCJNKIFOK-UHFFFAOYSA-N
MW625.69 g/mol
LogP5.24
Rot. Bonds6

About 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzaldehyde;methanamine

5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzaldehyde;methanamine (PubChem CID 144764295) has the molecular formula C33H38F3N5O4 and a molecular weight of 625.69 g/mol. Its IUPAC name is 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzaldehyde;methanamine.

Molecular Properties

Compound Name5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzaldehyde;methanamine
PubChem CID144764295
Molecular FormulaC33H38F3N5O4
Molecular Weight625.69 g/mol
Exact Mass625.29
IUPAC Name5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzaldehyde;methanamine
SMILESCCN1CCN(Cc2ccc(C=O)cc2C(F)(F)F)CC1.CN.O=C1CCc2c(Oc3ccc4c(c3)C3CC3O4)ccnc2N1
InChIInChI=1S/C17H14N2O3.C15H19F3N2O.CH5N/c20-16-4-2-10-14(5-6-18-17(10)19-16)21-9-1-3-13-11(7-9)12-8-15(12)22-13;1-2-19-5-7-20(8-6-19)10-13-4-3-12(11-21)9-14(13)15(16,17)18;1-2/h1,3,5-7,12,15H,2,4,8H2,(H,18,19,20);3-4,9,11H,2,5-8,10H2,1H3;2H2,1H3
InChIKeyLBXNUJCJNKIFOK-UHFFFAOYSA-N
XLogP5.24
TPSA110.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.69
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzaldehyde;methanamine 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 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzaldehyde;methanamine?
The IUPAC name of 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzaldehyde;methanamine (CID 144764295) is 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzaldehyde;methanamine.
What is the SMILES notation for 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzaldehyde;methanamine?
The canonical SMILES for 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzaldehyde;methanamine is CCN1CCN(Cc2ccc(C=O)cc2C(F)(F)F)CC1.CN.O=C1CCc2c(Oc3ccc4c(c3)C3CC3O4)ccnc2N1.
What is the InChIKey of 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzaldehyde;methanamine?
The InChIKey is LBXNUJCJNKIFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3.C15H19F3N2O.CH5N/c20-16-4-2-10-14(5-6-18-17(10)19-16)21-9-1-3-13-11(7-9)12-8-15(12)22-13;1-2-19-5-7-20(8-6-19)10-13-4-3-12(11-21)9-14(13)15(16,17)18;1-2/h1,3,5-7,12,15H,2,4,8H2,(H,18,19,20);3-4,9,11H,2,5-8,10H2,1H3;2H2,1H3.
What are the key properties of 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzaldehyde;methanamine?
5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzaldehyde;methanamine has a molecular weight of 625.69 g/mol, XLogP of 5.24, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzaldehyde;methanamine is sourced from PubChem (CID 144764295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).