N-[6-phenyl-6-(2,3,4-trimethoxyphenyl)-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide

C27H29N3O4 — CID 91352994

IUPACN-[6-phenyl-6-(2,3,4-trimethoxyphenyl)-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide
SMILESCOc1ccc(C2(c3ccccc3)C=Cc3c(NC(=O)C4CCC4)n[nH]c3C2)c(OC)c1OC
InChIInChI=1S/C27H29N3O4/c1-32-22-13-12-20(23(33-2)24(22)34-3)27(18-10-5-4-6-11-18)15-14-19-21(16-27)29-30-25(19)28-26(31)17-8-7-9-17/h4-6,10-15,17H,7-9,16H2,1-3H3,(H2,28,29,30,31)
InChIKeyWVYKFBXWYFRDPO-UHFFFAOYSA-N
MW459.55 g/mol
LogP4.73
Rot. Bonds7

About N-[6-phenyl-6-(2,3,4-trimethoxyphenyl)-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide

N-[6-phenyl-6-(2,3,4-trimethoxyphenyl)-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide (PubChem CID 91352994) has the molecular formula C27H29N3O4 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-[6-phenyl-6-(2,3,4-trimethoxyphenyl)-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[6-phenyl-6-(2,3,4-trimethoxyphenyl)-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide
PubChem CID91352994
Molecular FormulaC27H29N3O4
Molecular Weight459.55 g/mol
Exact Mass459.22
IUPAC NameN-[6-phenyl-6-(2,3,4-trimethoxyphenyl)-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide
SMILESCOc1ccc(C2(c3ccccc3)C=Cc3c(NC(=O)C4CCC4)n[nH]c3C2)c(OC)c1OC
InChIInChI=1S/C27H29N3O4/c1-32-22-13-12-20(23(33-2)24(22)34-3)27(18-10-5-4-6-11-18)15-14-19-21(16-27)29-30-25(19)28-26(31)17-8-7-9-17/h4-6,10-15,17H,7-9,16H2,1-3H3,(H2,28,29,30,31)
InChIKeyWVYKFBXWYFRDPO-UHFFFAOYSA-N
XLogP4.73
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(3,4-dimethoxyphenyl)-6-phenyl-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide
CID 91306480
N-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide
CID 90721486
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
cyclopropyl-[6-phenyl-6-(2,3,4-trimethoxyphenyl)-7H-indazol-1-yl]methanone
CID 90687634
(NE)-N-[cyclobutyl-[6-(3-methoxyphenyl)-6-phenyl-1,7-dihydroindazol-3-yl]methylidene]hydroxylamine
CID 135594007
N-[cyclobutyl-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)methylidene]hydroxylamine;1-cyclopropyl-N-methoxy-1-(6-phenyl-6-pyridin-4-yl-1,7-dihydroindazol-3-yl)methanimine
CID 173221541
(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
N-(1H-indazol-3-yl)cyclopentanecarboxamide
CID 60729859
N-(6-phenyl-1H-indazol-3-yl)cyclohexanecarboxamide
CID 69063558
N-(3,4,5-trimethoxyphenyl)cyclopentanecarboxamide
CID 7741672

Frequently Asked Questions

What is the IUPAC name of N-[6-phenyl-6-(2,3,4-trimethoxyphenyl)-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide?
The IUPAC name of N-[6-phenyl-6-(2,3,4-trimethoxyphenyl)-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide (CID 91352994) is N-[6-phenyl-6-(2,3,4-trimethoxyphenyl)-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[6-phenyl-6-(2,3,4-trimethoxyphenyl)-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[6-phenyl-6-(2,3,4-trimethoxyphenyl)-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide is COc1ccc(C2(c3ccccc3)C=Cc3c(NC(=O)C4CCC4)n[nH]c3C2)c(OC)c1OC.
What is the InChIKey of N-[6-phenyl-6-(2,3,4-trimethoxyphenyl)-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide?
The InChIKey is WVYKFBXWYFRDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4/c1-32-22-13-12-20(23(33-2)24(22)34-3)27(18-10-5-4-6-11-18)15-14-19-21(16-27)29-30-25(19)28-26(31)17-8-7-9-17/h4-6,10-15,17H,7-9,16H2,1-3H3,(H2,28,29,30,31).
What are the key properties of N-[6-phenyl-6-(2,3,4-trimethoxyphenyl)-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide?
N-[6-phenyl-6-(2,3,4-trimethoxyphenyl)-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide has a molecular weight of 459.55 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-phenyl-6-(2,3,4-trimethoxyphenyl)-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide is sourced from PubChem (CID 91352994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).