(E)-3-(4-fluorophenyl)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]prop-2-enamide

C25H22FN5O2 — CID 11948594

IUPAC(E)-3-(4-fluorophenyl)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]prop-2-enamide
SMILESCOc1ccc2nccc(-n3cc4c(n3)CCC(NC(=O)/C=C/c3ccc(F)cc3)C4)c2n1
InChIInChI=1S/C25H22FN5O2/c1-33-24-11-9-21-25(29-24)22(12-13-27-21)31-15-17-14-19(7-8-20(17)30-31)28-23(32)10-4-16-2-5-18(26)6-3-16/h2-6,9-13,15,19H,7-8,14H2,1H3,(H,28,32)/b10-4+
InChIKeyKKOMTFOHVBWLHZ-ONNFQVAWSA-N
MW443.48 g/mol
LogP3.65
Rot. Bonds5

About (E)-3-(4-fluorophenyl)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]prop-2-enamide

(E)-3-(4-fluorophenyl)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]prop-2-enamide (PubChem CID 11948594) has the molecular formula C25H22FN5O2 and a molecular weight of 443.48 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]prop-2-enamide
PubChem CID11948594
Molecular FormulaC25H22FN5O2
Molecular Weight443.48 g/mol
Exact Mass443.18
IUPAC Name(E)-3-(4-fluorophenyl)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]prop-2-enamide
SMILESCOc1ccc2nccc(-n3cc4c(n3)CCC(NC(=O)/C=C/c3ccc(F)cc3)C4)c2n1
InChIInChI=1S/C25H22FN5O2/c1-33-24-11-9-21-25(29-24)22(12-13-27-21)31-15-17-14-19(7-8-20(17)30-31)28-23(32)10-4-16-2-5-18(26)6-3-16/h2-6,9-13,15,19H,7-8,14H2,1H3,(H,28,32)/b10-4+
InChIKeyKKOMTFOHVBWLHZ-ONNFQVAWSA-N
XLogP3.65
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-3-(4-fluorophenyl)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]prop-2-enamide 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 (E)-3-(4-fluorophenyl)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]prop-2-enamide?
The IUPAC name of (E)-3-(4-fluorophenyl)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]prop-2-enamide (CID 11948594) is (E)-3-(4-fluorophenyl)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-fluorophenyl)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]prop-2-enamide is COc1ccc2nccc(-n3cc4c(n3)CCC(NC(=O)/C=C/c3ccc(F)cc3)C4)c2n1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]prop-2-enamide?
The InChIKey is KKOMTFOHVBWLHZ-ONNFQVAWSA-N. The full InChI is InChI=1S/C25H22FN5O2/c1-33-24-11-9-21-25(29-24)22(12-13-27-21)31-15-17-14-19(7-8-20(17)30-31)28-23(32)10-4-16-2-5-18(26)6-3-16/h2-6,9-13,15,19H,7-8,14H2,1H3,(H,28,32)/b10-4+.
What are the key properties of (E)-3-(4-fluorophenyl)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]prop-2-enamide?
(E)-3-(4-fluorophenyl)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]prop-2-enamide has a molecular weight of 443.48 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]prop-2-enamide is sourced from PubChem (CID 11948594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).