N-cyclopropyl-3-fluoro-5-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]indazol-5-yl]-4-methylbenzamide

C28H27FN4O3 — CID 58656502

IUPACN-cyclopropyl-3-fluoro-5-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]indazol-5-yl]-4-methylbenzamide
SMILESCOc1ccc(CNC(=O)Cn2ncc3cc(-c4cc(C(=O)NC5CC5)cc(F)c4C)ccc32)cc1
InChIInChI=1S/C28H27FN4O3/c1-17-24(12-20(13-25(17)29)28(35)32-22-6-7-22)19-5-10-26-21(11-19)15-31-33(26)16-27(34)30-14-18-3-8-23(36-2)9-4-18/h3-5,8-13,15,22H,6-7,14,16H2,1-2H3,(H,30,34)(H,32,35)
InChIKeyWWARVBKXEVMCHW-UHFFFAOYSA-N
MW486.55 g/mol
LogP4.37
Rot. Bonds8

About N-cyclopropyl-3-fluoro-5-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]indazol-5-yl]-4-methylbenzamide

N-cyclopropyl-3-fluoro-5-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]indazol-5-yl]-4-methylbenzamide (PubChem CID 58656502) has the molecular formula C28H27FN4O3 and a molecular weight of 486.55 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-5-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]indazol-5-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-fluoro-5-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]indazol-5-yl]-4-methylbenzamide
PubChem CID58656502
Molecular FormulaC28H27FN4O3
Molecular Weight486.55 g/mol
Exact Mass486.21
IUPAC NameN-cyclopropyl-3-fluoro-5-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]indazol-5-yl]-4-methylbenzamide
SMILESCOc1ccc(CNC(=O)Cn2ncc3cc(-c4cc(C(=O)NC5CC5)cc(F)c4C)ccc32)cc1
InChIInChI=1S/C28H27FN4O3/c1-17-24(12-20(13-25(17)29)28(35)32-22-6-7-22)19-5-10-26-21(11-19)15-31-33(26)16-27(34)30-14-18-3-8-23(36-2)9-4-18/h3-5,8-13,15,22H,6-7,14,16H2,1-2H3,(H,30,34)(H,32,35)
InChIKeyWWARVBKXEVMCHW-UHFFFAOYSA-N
XLogP4.37
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-(1-ethylsulfonylindazol-5-yl)-5-fluoro-4-methylbenzamide
CID 58656518
N-cyclopropyl-3-[1-(2-methoxyprop-2-enyl)indazol-5-yl]-4-methylbenzamide
CID 142855166
N-cyclopropyl-3-fluoro-5-[1-(3-fluorophenyl)sulfonylindazol-5-yl]-4-methylbenzamide
CID 11754326
N-cyclopropyl-3-fluoro-4-methyl-5-[1-(4-morpholin-4-ylphenyl)indazol-5-yl]benzamide
CID 11518436
N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)sulfonylindazol-5-yl]benzamide
CID 10389671
N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 33102925
N-cyclopropyl-3-fluoro-4-methyl-5-[1-(4-morpholin-4-ylphenyl)indazol-5-yl]benzamide;formic acid
CID 131739050
2-fluoro-N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 3221014
N-cyclopropyl-3-fluoro-4-methyl-5-[1-[4-(oxolan-2-ylmethylamino)phenyl]indazol-5-yl]benzamide;formic acid
CID 157091078
N-cyclopropyl-3-fluoro-4-methyl-5-[1-(3-methylphenyl)pyrazolo[3,4-c]pyridin-5-yl]benzamide
CID 58919704
3-[4-(cyclohexylmethylamino)-3-fluorophenyl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
CID 135283616
N-cyclopropyl-3-[4-(2,2-dimethylpropylcarbamoyl)-2-methoxyphenyl]-5-fluoro-4-methylbenzamide;molecular hydrogen
CID 145282453

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-fluoro-5-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]indazol-5-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-fluoro-5-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]indazol-5-yl]-4-methylbenzamide (CID 58656502) is N-cyclopropyl-3-fluoro-5-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]indazol-5-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-fluoro-5-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]indazol-5-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-fluoro-5-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]indazol-5-yl]-4-methylbenzamide is COc1ccc(CNC(=O)Cn2ncc3cc(-c4cc(C(=O)NC5CC5)cc(F)c4C)ccc32)cc1.
What is the InChIKey of N-cyclopropyl-3-fluoro-5-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]indazol-5-yl]-4-methylbenzamide?
The InChIKey is WWARVBKXEVMCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN4O3/c1-17-24(12-20(13-25(17)29)28(35)32-22-6-7-22)19-5-10-26-21(11-19)15-31-33(26)16-27(34)30-14-18-3-8-23(36-2)9-4-18/h3-5,8-13,15,22H,6-7,14,16H2,1-2H3,(H,30,34)(H,32,35).
What are the key properties of N-cyclopropyl-3-fluoro-5-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]indazol-5-yl]-4-methylbenzamide?
N-cyclopropyl-3-fluoro-5-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]indazol-5-yl]-4-methylbenzamide has a molecular weight of 486.55 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-fluoro-5-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]indazol-5-yl]-4-methylbenzamide is sourced from PubChem (CID 58656502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).