N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C18H20N4O2 — CID 110426145

IUPACN-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCC1(C)C(=O)Nc2ccc(NC(=O)c3n[nH]c4c3CCCC4)cc21
InChIInChI=1S/C18H20N4O2/c1-18(2)12-9-10(7-8-14(12)20-17(18)24)19-16(23)15-11-5-3-4-6-13(11)21-22-15/h7-9H,3-6H2,1-2H3,(H,19,23)(H,20,24)(H,21,22)
InChIKeyQHIDUKGMIQWTOU-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.77
Rot. Bonds2

About N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 110426145) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID110426145
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCC1(C)C(=O)Nc2ccc(NC(=O)c3n[nH]c4c3CCCC4)cc21
InChIInChI=1S/C18H20N4O2/c1-18(2)12-9-10(7-8-14(12)20-17(18)24)19-16(23)15-11-5-3-4-6-13(11)21-22-15/h7-9H,3-6H2,1-2H3,(H,19,23)(H,20,24)(H,21,22)
InChIKeyQHIDUKGMIQWTOU-UHFFFAOYSA-N
XLogP2.77
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110428948
N-(2H-benzotriazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 71918378
N-quinoxalin-6-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 126787422
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 7556408
N-phenyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 53017362
N-(1-acetyl-2,3-dihydroindol-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110627216
3,4-dichloro-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)benzamide
CID 110405719
N-(3,5-dimethylphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388886
N-[2-(dimethylamino)quinolin-6-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 167806033
N-[4-(2-hydroxyethoxy)-3-methylphenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 75502190
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)thiophene-2-carboxamide
CID 14476448
methyl 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)benzoate
CID 110388929

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 110426145) is N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is CC1(C)C(=O)Nc2ccc(NC(=O)c3n[nH]c4c3CCCC4)cc21.
What is the InChIKey of N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is QHIDUKGMIQWTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-18(2)12-9-10(7-8-14(12)20-17(18)24)19-16(23)15-11-5-3-4-6-13(11)21-22-15/h7-9H,3-6H2,1-2H3,(H,19,23)(H,20,24)(H,21,22).
What are the key properties of N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 110426145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).