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

C25H23N5O2 — CID 11948578

IUPAC(E)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-3-phenylprop-2-enamide
SMILESCOc1ccc2nccc(-n3cc4c(n3)CCC(NC(=O)/C=C/c3ccccc3)C4)c2n1
InChIInChI=1S/C25H23N5O2/c1-32-24-12-10-21-25(28-24)22(13-14-26-21)30-16-18-15-19(8-9-20(18)29-30)27-23(31)11-7-17-5-3-2-4-6-17/h2-7,10-14,16,19H,8-9,15H2,1H3,(H,27,31)/b11-7+
InChIKeySYRPJWAOPZQCPQ-YRNVUSSQSA-N
MW425.49 g/mol
LogP3.51
Rot. Bonds5

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

(E)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-3-phenylprop-2-enamide (PubChem CID 11948578) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is (E)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-3-phenylprop-2-enamide
PubChem CID11948578
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name(E)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-3-phenylprop-2-enamide
SMILESCOc1ccc2nccc(-n3cc4c(n3)CCC(NC(=O)/C=C/c3ccccc3)C4)c2n1
InChIInChI=1S/C25H23N5O2/c1-32-24-12-10-21-25(28-24)22(13-14-26-21)30-16-18-15-19(8-9-20(18)29-30)27-23(31)11-7-17-5-3-2-4-6-17/h2-7,10-14,16,19H,8-9,15H2,1H3,(H,27,31)/b11-7+
InChIKeySYRPJWAOPZQCPQ-YRNVUSSQSA-N
XLogP3.51
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-3-phenylprop-2-enamide (CID 11948578) is (E)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-3-phenylprop-2-enamide is COc1ccc2nccc(-n3cc4c(n3)CCC(NC(=O)/C=C/c3ccccc3)C4)c2n1.
What is the InChIKey of (E)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-3-phenylprop-2-enamide?
The InChIKey is SYRPJWAOPZQCPQ-YRNVUSSQSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-32-24-12-10-21-25(28-24)22(13-14-26-21)30-16-18-15-19(8-9-20(18)29-30)27-23(31)11-7-17-5-3-2-4-6-17/h2-7,10-14,16,19H,8-9,15H2,1H3,(H,27,31)/b11-7+.
What are the key properties of (E)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-3-phenylprop-2-enamide?
(E)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-3-phenylprop-2-enamide has a molecular weight of 425.49 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 11948578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).