N-(6,6-dithiophen-2-yl-1,7-dihydroindazol-3-yl)cyclopropanecarboxamide

C19H17N3OS2 — CID 91285126

IUPACN-(6,6-dithiophen-2-yl-1,7-dihydroindazol-3-yl)cyclopropanecarboxamide
SMILESO=C(Nc1n[nH]c2c1C=CC(c1cccs1)(c1cccs1)C2)C1CC1
InChIInChI=1S/C19H17N3OS2/c23-18(12-5-6-12)20-17-13-7-8-19(11-14(13)21-22-17,15-3-1-9-24-15)16-4-2-10-25-16/h1-4,7-10,12H,5-6,11H2,(H2,20,21,22,23)
InChIKeyKZJTZLBOOQALTO-UHFFFAOYSA-N
MW367.50 g/mol
LogP4.44
Rot. Bonds4

About N-(6,6-dithiophen-2-yl-1,7-dihydroindazol-3-yl)cyclopropanecarboxamide

N-(6,6-dithiophen-2-yl-1,7-dihydroindazol-3-yl)cyclopropanecarboxamide (PubChem CID 91285126) has the molecular formula C19H17N3OS2 and a molecular weight of 367.50 g/mol. Its IUPAC name is N-(6,6-dithiophen-2-yl-1,7-dihydroindazol-3-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(6,6-dithiophen-2-yl-1,7-dihydroindazol-3-yl)cyclopropanecarboxamide
PubChem CID91285126
Molecular FormulaC19H17N3OS2
Molecular Weight367.50 g/mol
Exact Mass367.08
IUPAC NameN-(6,6-dithiophen-2-yl-1,7-dihydroindazol-3-yl)cyclopropanecarboxamide
SMILESO=C(Nc1n[nH]c2c1C=CC(c1cccs1)(c1cccs1)C2)C1CC1
InChIInChI=1S/C19H17N3OS2/c23-18(12-5-6-12)20-17-13-7-8-19(11-14(13)21-22-17,15-3-1-9-24-15)16-4-2-10-25-16/h1-4,7-10,12H,5-6,11H2,(H2,20,21,22,23)
InChIKeyKZJTZLBOOQALTO-UHFFFAOYSA-N
XLogP4.44
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide
CID 90721486
N-[6-(3,4-dimethoxyphenyl)-6-phenyl-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide
CID 91306480
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
3,6-diphenyl-6-thiophen-2-yl-1,7-dihydroindazole;6-phenyl-3-pyridin-2-yl-6-thiophen-2-yl-1,7-dihydroindazole
CID 160760400
N-[6-(4-phenylphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 44586802
N-(4-fluoro-1H-indazol-3-yl)cyclopropanecarboxamide
CID 110470290
N-[6-(3-bromothiophen-2-yl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 10286967
[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-hydroxy-1H-indazol-3-yl)cyclopropanecarboxamide
CID 135546358
2-(cyclopropanecarbonylamino)thiophene-3-carboxylic acid
CID 16774057

Frequently Asked Questions

What is the IUPAC name of N-(6,6-dithiophen-2-yl-1,7-dihydroindazol-3-yl)cyclopropanecarboxamide?
The IUPAC name of N-(6,6-dithiophen-2-yl-1,7-dihydroindazol-3-yl)cyclopropanecarboxamide (CID 91285126) is N-(6,6-dithiophen-2-yl-1,7-dihydroindazol-3-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(6,6-dithiophen-2-yl-1,7-dihydroindazol-3-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(6,6-dithiophen-2-yl-1,7-dihydroindazol-3-yl)cyclopropanecarboxamide is O=C(Nc1n[nH]c2c1C=CC(c1cccs1)(c1cccs1)C2)C1CC1.
What is the InChIKey of N-(6,6-dithiophen-2-yl-1,7-dihydroindazol-3-yl)cyclopropanecarboxamide?
The InChIKey is KZJTZLBOOQALTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS2/c23-18(12-5-6-12)20-17-13-7-8-19(11-14(13)21-22-17,15-3-1-9-24-15)16-4-2-10-25-16/h1-4,7-10,12H,5-6,11H2,(H2,20,21,22,23).
What are the key properties of N-(6,6-dithiophen-2-yl-1,7-dihydroindazol-3-yl)cyclopropanecarboxamide?
N-(6,6-dithiophen-2-yl-1,7-dihydroindazol-3-yl)cyclopropanecarboxamide has a molecular weight of 367.50 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,6-dithiophen-2-yl-1,7-dihydroindazol-3-yl)cyclopropanecarboxamide is sourced from PubChem (CID 91285126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).