N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C25H23N5O4 — CID 11948557

IUPACN-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCOc1ccc2nccc(-n3cc4c(n3)CCC(NC(=O)c3ccc5c(c3)OCCO5)C4)c2n1
InChIInChI=1S/C25H23N5O4/c1-32-23-7-5-19-24(28-23)20(8-9-26-19)30-14-16-12-17(3-4-18(16)29-30)27-25(31)15-2-6-21-22(13-15)34-11-10-33-21/h2,5-9,13-14,17H,3-4,10-12H2,1H3,(H,27,31)
InChIKeyWVNOPGJROUHTGW-UHFFFAOYSA-N
MW457.49 g/mol
LogP2.88
Rot. Bonds4

About N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 11948557) has the molecular formula C25H23N5O4 and a molecular weight of 457.49 g/mol. Its IUPAC name is N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID11948557
Molecular FormulaC25H23N5O4
Molecular Weight457.49 g/mol
Exact Mass457.18
IUPAC NameN-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCOc1ccc2nccc(-n3cc4c(n3)CCC(NC(=O)c3ccc5c(c3)OCCO5)C4)c2n1
InChIInChI=1S/C25H23N5O4/c1-32-23-7-5-19-24(28-23)20(8-9-26-19)30-14-16-12-17(3-4-18(16)29-30)27-25(31)15-2-6-21-22(13-15)34-11-10-33-21/h2,5-9,13-14,17H,3-4,10-12H2,1H3,(H,27,31)
InChIKeyWVNOPGJROUHTGW-UHFFFAOYSA-N
XLogP2.88
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 11948557) is N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is COc1ccc2nccc(-n3cc4c(n3)CCC(NC(=O)c3ccc5c(c3)OCCO5)C4)c2n1.
What is the InChIKey of N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is WVNOPGJROUHTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O4/c1-32-23-7-5-19-24(28-23)20(8-9-26-19)30-14-16-12-17(3-4-18(16)29-30)27-25(31)15-2-6-21-22(13-15)34-11-10-33-21/h2,5-9,13-14,17H,3-4,10-12H2,1H3,(H,27,31).
What are the key properties of N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 457.49 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 11948557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).