N-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide

C21H20N4OS — CID 90721486

IUPACN-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide
SMILESO=C(Nc1n[nH]c2c1C=CC(c1ccccc1)(c1cncs1)C2)C1CCC1
InChIInChI=1S/C21H20N4OS/c26-20(14-5-4-6-14)23-19-16-9-10-21(11-17(16)24-25-19,18-12-22-13-27-18)15-7-2-1-3-8-15/h1-3,7-10,12-14H,4-6,11H2,(H2,23,24,25,26)
InChIKeyLTNBZHFBPNBTEU-UHFFFAOYSA-N
MW376.49 g/mol
LogP4.16
Rot. Bonds4

About N-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide

N-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide (PubChem CID 90721486) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is N-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide
PubChem CID90721486
Molecular FormulaC21H20N4OS
Molecular Weight376.49 g/mol
Exact Mass376.14
IUPAC NameN-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide
SMILESO=C(Nc1n[nH]c2c1C=CC(c1ccccc1)(c1cncs1)C2)C1CCC1
InChIInChI=1S/C21H20N4OS/c26-20(14-5-4-6-14)23-19-16-9-10-21(11-17(16)24-25-19,18-12-22-13-27-18)15-7-2-1-3-8-15/h1-3,7-10,12-14H,4-6,11H2,(H2,23,24,25,26)
InChIKeyLTNBZHFBPNBTEU-UHFFFAOYSA-N
XLogP4.16
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-(2,3,4-trimethoxyphenyl)-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide
CID 91352994
N-(6,6-dithiophen-2-yl-1,7-dihydroindazol-3-yl)cyclopropanecarboxamide
CID 91285126
N-[6,6-bis(3-fluorophenyl)-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide;6,6-bis(3-fluorophenyl)-3-phenyl-1,7-dihydroindazole
CID 159315960
(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-[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
N-(1H-indazol-3-yl)cyclopentanecarboxamide
CID 60729859
N-[6-(4-phenylphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 44586802
(NE)-N-[cyclobutyl-[6-(3-methoxyphenyl)-6-phenyl-1,7-dihydroindazol-3-yl]methylidene]hydroxylamine
CID 135594007
N-(6-phenyl-1H-indazol-3-yl)cyclohexanecarboxamide
CID 69063558
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

Frequently Asked Questions

What is the IUPAC name of N-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide?
The IUPAC name of N-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide (CID 90721486) is N-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide is O=C(Nc1n[nH]c2c1C=CC(c1ccccc1)(c1cncs1)C2)C1CCC1.
What is the InChIKey of N-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide?
The InChIKey is LTNBZHFBPNBTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS/c26-20(14-5-4-6-14)23-19-16-9-10-21(11-17(16)24-25-19,18-12-22-13-27-18)15-7-2-1-3-8-15/h1-3,7-10,12-14H,4-6,11H2,(H2,23,24,25,26).
What are the key properties of N-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide?
N-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide has a molecular weight of 376.49 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-phenyl-6-(1,3-thiazol-5-yl)-1,7-dihydroindazol-3-yl]cyclobutanecarboxamide is sourced from PubChem (CID 90721486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).