N-[2-(6-methoxyquinolin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-1H-indole-2-carboxamide

C26H23N5O2 — CID 11948320

IUPACN-[2-(6-methoxyquinolin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-1H-indole-2-carboxamide
SMILESCOc1ccc2nccc(-n3cc4c(n3)CCC(NC(=O)c3cc5ccccc5[nH]3)C4)c2c1
InChIInChI=1S/C26H23N5O2/c1-33-19-7-9-23-20(14-19)25(10-11-27-23)31-15-17-12-18(6-8-22(17)30-31)28-26(32)24-13-16-4-2-3-5-21(16)29-24/h2-5,7,9-11,13-15,18,29H,6,8,12H2,1H3,(H,28,32)
InChIKeyQCBFARBZOKXJLH-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.20
Rot. Bonds4

About N-[2-(6-methoxyquinolin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-1H-indole-2-carboxamide

N-[2-(6-methoxyquinolin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-1H-indole-2-carboxamide (PubChem CID 11948320) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[2-(6-methoxyquinolin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(6-methoxyquinolin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-1H-indole-2-carboxamide
PubChem CID11948320
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC NameN-[2-(6-methoxyquinolin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-1H-indole-2-carboxamide
SMILESCOc1ccc2nccc(-n3cc4c(n3)CCC(NC(=O)c3cc5ccccc5[nH]3)C4)c2c1
InChIInChI=1S/C26H23N5O2/c1-33-19-7-9-23-20(14-19)25(10-11-27-23)31-15-17-12-18(6-8-22(17)30-31)28-26(32)24-13-16-4-2-3-5-21(16)29-24/h2-5,7,9-11,13-15,18,29H,6,8,12H2,1H3,(H,28,32)
InChIKeyQCBFARBZOKXJLH-UHFFFAOYSA-N
XLogP4.20
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methoxyquinolin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(6-methoxyquinolin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-1H-indole-2-carboxamide (CID 11948320) is N-[2-(6-methoxyquinolin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(6-methoxyquinolin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(6-methoxyquinolin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-1H-indole-2-carboxamide is COc1ccc2nccc(-n3cc4c(n3)CCC(NC(=O)c3cc5ccccc5[nH]3)C4)c2c1.
What is the InChIKey of N-[2-(6-methoxyquinolin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-1H-indole-2-carboxamide?
The InChIKey is QCBFARBZOKXJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c1-33-19-7-9-23-20(14-19)25(10-11-27-23)31-15-17-12-18(6-8-22(17)30-31)28-26(32)24-13-16-4-2-3-5-21(16)29-24/h2-5,7,9-11,13-15,18,29H,6,8,12H2,1H3,(H,28,32).
What are the key properties of N-[2-(6-methoxyquinolin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-1H-indole-2-carboxamide?
N-[2-(6-methoxyquinolin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-1H-indole-2-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methoxyquinolin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 11948320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).