N-(1-benzoyl-2,3-dihydroindol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C23H22N4O2 — CID 110623445

IUPACN-(1-benzoyl-2,3-dihydroindol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCN2C(=O)c1ccccc1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C23H22N4O2/c28-22(21-18-8-4-5-9-19(18)25-26-21)24-17-10-11-20-16(14-17)12-13-27(20)23(29)15-6-2-1-3-7-15/h1-3,6-7,10-11,14H,4-5,8-9,12-13H2,(H,24,28)(H,25,26)
InChIKeyWMLIWGSSEDLOPS-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.74
Rot. Bonds3

About N-(1-benzoyl-2,3-dihydroindol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-(1-benzoyl-2,3-dihydroindol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 110623445) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-(1-benzoyl-2,3-dihydroindol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzoyl-2,3-dihydroindol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID110623445
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC NameN-(1-benzoyl-2,3-dihydroindol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCN2C(=O)c1ccccc1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C23H22N4O2/c28-22(21-18-8-4-5-9-19(18)25-26-21)24-17-10-11-20-16(14-17)12-13-27(20)23(29)15-6-2-1-3-7-15/h1-3,6-7,10-11,14H,4-5,8-9,12-13H2,(H,24,28)(H,25,26)
InChIKeyWMLIWGSSEDLOPS-UHFFFAOYSA-N
XLogP3.74
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-benzoyl-2,3-dihydroindol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide with MolForge

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110627216
N-(3,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110428948
4-oxo-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1H-cinnoline-3-carboxamide
CID 86949531
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide
CID 121084310
5-benzamido-2,3-dihydroindole-1-carboxylic acid
CID 23147979
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110606086
N-(3-benzamido-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 46323290
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-fluorobenzamide
CID 27557625
N-(1-benzoyl-2,3-dihydroindol-5-yl)-2-phenoxyacetamide
CID 112506133
N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110415994
ethyl 2-[(1-benzoyl-2,3-dihydroindol-5-yl)amino]-2-oxoacetate
CID 112506147
methyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
CID 16834631

Frequently Asked Questions

What is the IUPAC name of N-(1-benzoyl-2,3-dihydroindol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-(1-benzoyl-2,3-dihydroindol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 110623445) is N-(1-benzoyl-2,3-dihydroindol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(1-benzoyl-2,3-dihydroindol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-(1-benzoyl-2,3-dihydroindol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is O=C(Nc1ccc2c(c1)CCN2C(=O)c1ccccc1)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-(1-benzoyl-2,3-dihydroindol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is WMLIWGSSEDLOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c28-22(21-18-8-4-5-9-19(18)25-26-21)24-17-10-11-20-16(14-17)12-13-27(20)23(29)15-6-2-1-3-7-15/h1-3,6-7,10-11,14H,4-5,8-9,12-13H2,(H,24,28)(H,25,26).
What are the key properties of N-(1-benzoyl-2,3-dihydroindol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-(1-benzoyl-2,3-dihydroindol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzoyl-2,3-dihydroindol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 110623445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).