N-cyclopropyl-3-[3-(4-fluorophenyl)-1H-indazol-6-yl]-4-methylbenzamide

C24H20FN3O — CID 11660998

IUPACN-cyclopropyl-3-[3-(4-fluorophenyl)-1H-indazol-6-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(-c3ccc(F)cc3)n[nH]c2c1
InChIInChI=1S/C24H20FN3O/c1-14-2-3-17(24(29)26-19-9-10-19)12-21(14)16-6-11-20-22(13-16)27-28-23(20)15-4-7-18(25)8-5-15/h2-8,11-13,19H,9-10H2,1H3,(H,26,29)(H,27,28)
InChIKeyBGMAADGYDIEDFZ-UHFFFAOYSA-N
MW385.44 g/mol
LogP5.24
Rot. Bonds4

About N-cyclopropyl-3-[3-(4-fluorophenyl)-1H-indazol-6-yl]-4-methylbenzamide

N-cyclopropyl-3-[3-(4-fluorophenyl)-1H-indazol-6-yl]-4-methylbenzamide (PubChem CID 11660998) has the molecular formula C24H20FN3O and a molecular weight of 385.44 g/mol. Its IUPAC name is N-cyclopropyl-3-[3-(4-fluorophenyl)-1H-indazol-6-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[3-(4-fluorophenyl)-1H-indazol-6-yl]-4-methylbenzamide
PubChem CID11660998
Molecular FormulaC24H20FN3O
Molecular Weight385.44 g/mol
Exact Mass385.16
IUPAC NameN-cyclopropyl-3-[3-(4-fluorophenyl)-1H-indazol-6-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(-c3ccc(F)cc3)n[nH]c2c1
InChIInChI=1S/C24H20FN3O/c1-14-2-3-17(24(29)26-19-9-10-19)12-21(14)16-6-11-20-22(13-16)27-28-23(20)15-4-7-18(25)8-5-15/h2-8,11-13,19H,9-10H2,1H3,(H,26,29)(H,27,28)
InChIKeyBGMAADGYDIEDFZ-UHFFFAOYSA-N
XLogP5.24
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.44
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-1H-indazole-6-carboxylic acid
CID 39218370
N-cyclopropyl-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide
CID 22588027
3-[1-(4-chlorophenyl)phthalazin-6-yl]-N-cyclopropyl-4-methylbenzamide
CID 11848510
N-cyclopropyl-4-methyl-3-[4-methyl-3-(methyliminomethyl)phenyl]benzamide
CID 142855177
N-cyclopropyl-3-[4-(2-hydroxy-2-methylpropanoyl)phenyl]-4-methylbenzamide
CID 156904443
3-[3-(2,5-dimethylpyrazol-3-yl)-1H-indazol-6-yl]-N-ethyl-4-methylbenzamide
CID 11501649
N-cyclopropyl-4-methyl-3-(3-morpholin-4-yl-1,2-benzoxazol-6-yl)benzamide
CID 10384952
N-cyclopropyl-4-methyl-3-(2-oxospiro[1H-indole-3,4'-thian-1-ium]-6-yl)benzamide
CID 149319928
4-methyl-3-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 155532218
3-[1-[2,4-bis(trifluoromethyl)phenyl]phthalazin-6-yl]-N-cyclopropyl-4-methylbenzamide
CID 11848989
N-cyclopropyl-4-methyl-3-[3-(propylsulfanylamino)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzamide
CID 143084187
3-[4-(acetamidomethyl)phenyl]-N-cyclopropyl-4-methylbenzamide;azane
CID 142826121

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[3-(4-fluorophenyl)-1H-indazol-6-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[3-(4-fluorophenyl)-1H-indazol-6-yl]-4-methylbenzamide (CID 11660998) is N-cyclopropyl-3-[3-(4-fluorophenyl)-1H-indazol-6-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[3-(4-fluorophenyl)-1H-indazol-6-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[3-(4-fluorophenyl)-1H-indazol-6-yl]-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(-c3ccc(F)cc3)n[nH]c2c1.
What is the InChIKey of N-cyclopropyl-3-[3-(4-fluorophenyl)-1H-indazol-6-yl]-4-methylbenzamide?
The InChIKey is BGMAADGYDIEDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O/c1-14-2-3-17(24(29)26-19-9-10-19)12-21(14)16-6-11-20-22(13-16)27-28-23(20)15-4-7-18(25)8-5-15/h2-8,11-13,19H,9-10H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-cyclopropyl-3-[3-(4-fluorophenyl)-1H-indazol-6-yl]-4-methylbenzamide?
N-cyclopropyl-3-[3-(4-fluorophenyl)-1H-indazol-6-yl]-4-methylbenzamide has a molecular weight of 385.44 g/mol, XLogP of 5.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[3-(4-fluorophenyl)-1H-indazol-6-yl]-4-methylbenzamide is sourced from PubChem (CID 11660998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).