N-cyclopropyl-3-ethenyl-7-fluoro-1-tritylindazole-5-carboxamide

C32H26FN3O — CID 68930689

IUPACN-cyclopropyl-3-ethenyl-7-fluoro-1-tritylindazole-5-carboxamide
SMILESC=Cc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2c(F)cc(C(=O)NC3CC3)cc12
InChIInChI=1S/C32H26FN3O/c1-2-29-27-20-22(31(37)34-26-18-19-26)21-28(33)30(27)36(35-29)32(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h2-17,20-21,26H,1,18-19H2,(H,34,37)
InChIKeyWFTYGCUWJKVQNR-UHFFFAOYSA-N
MW487.58 g/mol
LogP6.55
Rot. Bonds7

About N-cyclopropyl-3-ethenyl-7-fluoro-1-tritylindazole-5-carboxamide

N-cyclopropyl-3-ethenyl-7-fluoro-1-tritylindazole-5-carboxamide (PubChem CID 68930689) has the molecular formula C32H26FN3O and a molecular weight of 487.58 g/mol. Its IUPAC name is N-cyclopropyl-3-ethenyl-7-fluoro-1-tritylindazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-ethenyl-7-fluoro-1-tritylindazole-5-carboxamide
PubChem CID68930689
Molecular FormulaC32H26FN3O
Molecular Weight487.58 g/mol
Exact Mass487.21
IUPAC NameN-cyclopropyl-3-ethenyl-7-fluoro-1-tritylindazole-5-carboxamide
SMILESC=Cc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2c(F)cc(C(=O)NC3CC3)cc12
InChIInChI=1S/C32H26FN3O/c1-2-29-27-20-22(31(37)34-26-18-19-26)21-28(33)30(27)36(35-29)32(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h2-17,20-21,26H,1,18-19H2,(H,34,37)
InChIKeyWFTYGCUWJKVQNR-UHFFFAOYSA-N
XLogP6.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.58
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

7-fluoro-3-naphthalen-2-yl-1-tritylindazole-5-carboxylic acid
CID 22260628
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
3-tert-butyl-N-cyclopropylbenzamide
CID 59732225
3-bromo-N-cyclopropyl-5-fluoro-4-methylbenzamide;3-fluoro-4-methylbenzoic acid
CID 161026057
N-cyclopropyl-2,6-bis(trifluoromethyl)pyridine-4-carboxamide
CID 30772760
3-fluoro-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 91938316
4-phenyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 75538554
6-[(1-prop-2-enylpiperidin-4-yl)carbamoyl]naphthalene-2-carboxylic acid
CID 167783469
5-ethenyl-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 155919871
N-[(3R)-1-[2-(dimethylamino)-1-(2-fluorophenyl)-2-oxoethyl]piperidin-3-yl]-3-pyridin-4-yl-1-tritylindazole-5-carboxamide
CID 67996347
4-bromo-N-cyclohexyl-3,5-difluorobenzamide
CID 172646662
6-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)-3-fluorophenyl]pyridine-3-carboxylic acid
CID 150226068

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-ethenyl-7-fluoro-1-tritylindazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-3-ethenyl-7-fluoro-1-tritylindazole-5-carboxamide (CID 68930689) is N-cyclopropyl-3-ethenyl-7-fluoro-1-tritylindazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-ethenyl-7-fluoro-1-tritylindazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-3-ethenyl-7-fluoro-1-tritylindazole-5-carboxamide is C=Cc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2c(F)cc(C(=O)NC3CC3)cc12.
What is the InChIKey of N-cyclopropyl-3-ethenyl-7-fluoro-1-tritylindazole-5-carboxamide?
The InChIKey is WFTYGCUWJKVQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26FN3O/c1-2-29-27-20-22(31(37)34-26-18-19-26)21-28(33)30(27)36(35-29)32(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h2-17,20-21,26H,1,18-19H2,(H,34,37).
What are the key properties of N-cyclopropyl-3-ethenyl-7-fluoro-1-tritylindazole-5-carboxamide?
N-cyclopropyl-3-ethenyl-7-fluoro-1-tritylindazole-5-carboxamide has a molecular weight of 487.58 g/mol, XLogP of 6.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-ethenyl-7-fluoro-1-tritylindazole-5-carboxamide is sourced from PubChem (CID 68930689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).