N-[6-(3,4-dimethoxyphenyl)-6-phenyl-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide

C26H27N3O3 — CID 91306480

IUPACN-[6-(3,4-dimethoxyphenyl)-6-phenyl-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide
SMILESCOc1ccc(C2(c3ccccc3)C=Cc3c(NC(=O)C4CCC4)n[nH]c3C2)cc1OC
InChIInChI=1S/C26H27N3O3/c1-31-22-12-11-19(15-23(22)32-2)26(18-9-4-3-5-10-18)14-13-20-21(16-26)28-29-24(20)27-25(30)17-7-6-8-17/h3-5,9-15,17H,6-8,16H2,1-2H3,(H2,27,28,29,30)
InChIKeyJRAWEZYTURHBRM-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.72
Rot. Bonds6

About N-[6-(3,4-dimethoxyphenyl)-6-phenyl-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide

N-[6-(3,4-dimethoxyphenyl)-6-phenyl-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide (PubChem CID 91306480) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[6-(3,4-dimethoxyphenyl)-6-phenyl-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[6-(3,4-dimethoxyphenyl)-6-phenyl-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide
PubChem CID91306480
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC NameN-[6-(3,4-dimethoxyphenyl)-6-phenyl-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide
SMILESCOc1ccc(C2(c3ccccc3)C=Cc3c(NC(=O)C4CCC4)n[nH]c3C2)cc1OC
InChIInChI=1S/C26H27N3O3/c1-31-22-12-11-19(15-23(22)32-2)26(18-9-4-3-5-10-18)14-13-20-21(16-26)28-29-24(20)27-25(30)17-7-6-8-17/h3-5,9-15,17H,6-8,16H2,1-2H3,(H2,27,28,29,30)
InChIKeyJRAWEZYTURHBRM-UHFFFAOYSA-N
XLogP4.72
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-phenyl-6-(2,3,4-trimethoxyphenyl)-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide
CID 91352994
N-[6,6-bis(3-fluorophenyl)-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide;6,6-bis(3-fluorophenyl)-3-phenyl-1,7-dihydroindazole
CID 159315960
N-(6,6-dithiophen-2-yl-1,7-dihydroindazol-3-yl)cyclopropanecarboxamide
CID 91285126
(NE)-N-[cyclobutyl-[6-(3-methoxyphenyl)-6-phenyl-1,7-dihydroindazol-3-yl]methylidene]hydroxylamine
CID 135594007
(NE)-N-[cyclobutyl-[6-(4-fluorophenyl)-6-phenyl-1,7-dihydroindazol-3-yl]methylidene]hydroxylamine
CID 135594027
[6,6-bis[4-(dimethylamino)phenyl]-1,7-dihydroindazol-3-yl]-cyclobutylmethanone;[6,6-bis[4-(dimethylamino)phenyl]-1,7-dihydroindazol-3-yl]-cyclopropylmethanone
CID 157207881
2-(cyclohexanecarbonylamino)-N-(3,4-dimethoxyphenyl)benzamide
CID 110602595
N-(6-phenyl-1H-indazol-3-yl)cyclohexanecarboxamide
CID 69063558
N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 42685663
N-(3-benzyl-4-methoxyphenyl)cyclopentanecarboxamide
CID 27038654
N-(4-chloro-2-pyridinyl)-2-(3,4-dimethoxybenzoyl)-2-phenylcyclopropane-1-carboxamide
CID 57388194
N-(1H-indazol-3-yl)cyclopentanecarboxamide
CID 60729859

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dimethoxyphenyl)-6-phenyl-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide?
The IUPAC name of N-[6-(3,4-dimethoxyphenyl)-6-phenyl-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide (CID 91306480) is N-[6-(3,4-dimethoxyphenyl)-6-phenyl-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[6-(3,4-dimethoxyphenyl)-6-phenyl-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[6-(3,4-dimethoxyphenyl)-6-phenyl-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide is COc1ccc(C2(c3ccccc3)C=Cc3c(NC(=O)C4CCC4)n[nH]c3C2)cc1OC.
What is the InChIKey of N-[6-(3,4-dimethoxyphenyl)-6-phenyl-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide?
The InChIKey is JRAWEZYTURHBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-31-22-12-11-19(15-23(22)32-2)26(18-9-4-3-5-10-18)14-13-20-21(16-26)28-29-24(20)27-25(30)17-7-6-8-17/h3-5,9-15,17H,6-8,16H2,1-2H3,(H2,27,28,29,30).
What are the key properties of N-[6-(3,4-dimethoxyphenyl)-6-phenyl-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide?
N-[6-(3,4-dimethoxyphenyl)-6-phenyl-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide has a molecular weight of 429.52 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-dimethoxyphenyl)-6-phenyl-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide is sourced from PubChem (CID 91306480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).