2-(1H-indol-2-yl)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-2-oxoacetamide

C26H22N6O3 — CID 11948577

IUPAC2-(1H-indol-2-yl)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-2-oxoacetamide
SMILESCOc1ccc2nccc(-n3cc4c(n3)CCC(NC(=O)C(=O)c3cc5ccccc5[nH]3)C4)c2n1
InChIInChI=1S/C26H22N6O3/c1-35-23-9-8-20-24(30-23)22(10-11-27-20)32-14-16-12-17(6-7-19(16)31-32)28-26(34)25(33)21-13-15-4-2-3-5-18(15)29-21/h2-5,8-11,13-14,17,29H,6-7,12H2,1H3,(H,28,34)
InChIKeyOUQCGOYIYGGSSW-UHFFFAOYSA-N
MW466.50 g/mol
LogP3.16
Rot. Bonds5

About 2-(1H-indol-2-yl)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-2-oxoacetamide

2-(1H-indol-2-yl)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-2-oxoacetamide (PubChem CID 11948577) has the molecular formula C26H22N6O3 and a molecular weight of 466.50 g/mol. Its IUPAC name is 2-(1H-indol-2-yl)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(1H-indol-2-yl)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-2-oxoacetamide
PubChem CID11948577
Molecular FormulaC26H22N6O3
Molecular Weight466.50 g/mol
Exact Mass466.18
IUPAC Name2-(1H-indol-2-yl)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-2-oxoacetamide
SMILESCOc1ccc2nccc(-n3cc4c(n3)CCC(NC(=O)C(=O)c3cc5ccccc5[nH]3)C4)c2n1
InChIInChI=1S/C26H22N6O3/c1-35-23-9-8-20-24(30-23)22(10-11-27-20)32-14-16-12-17(6-7-19(16)31-32)28-26(34)25(33)21-13-15-4-2-3-5-18(15)29-21/h2-5,8-11,13-14,17,29H,6-7,12H2,1H3,(H,28,34)
InChIKeyOUQCGOYIYGGSSW-UHFFFAOYSA-N
XLogP3.16
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.50
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-2-yl)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-2-oxoacetamide?
The IUPAC name of 2-(1H-indol-2-yl)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-2-oxoacetamide (CID 11948577) is 2-(1H-indol-2-yl)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-2-oxoacetamide.
What is the SMILES notation for 2-(1H-indol-2-yl)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-2-oxoacetamide?
The canonical SMILES for 2-(1H-indol-2-yl)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-2-oxoacetamide is COc1ccc2nccc(-n3cc4c(n3)CCC(NC(=O)C(=O)c3cc5ccccc5[nH]3)C4)c2n1.
What is the InChIKey of 2-(1H-indol-2-yl)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-2-oxoacetamide?
The InChIKey is OUQCGOYIYGGSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O3/c1-35-23-9-8-20-24(30-23)22(10-11-27-20)32-14-16-12-17(6-7-19(16)31-32)28-26(34)25(33)21-13-15-4-2-3-5-18(15)29-21/h2-5,8-11,13-14,17,29H,6-7,12H2,1H3,(H,28,34).
What are the key properties of 2-(1H-indol-2-yl)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-2-oxoacetamide?
2-(1H-indol-2-yl)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-2-oxoacetamide has a molecular weight of 466.50 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-2-yl)-N-[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-2-oxoacetamide is sourced from PubChem (CID 11948577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).