N-[2-(cyclohexylamino)-2-oxoethyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide

C25H27FN4O3 — CID 68935587

IUPACN-[2-(cyclohexylamino)-2-oxoethyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCC(=O)NC2CCCCC2)ccc2[nH]nc(C=Cc3ccc(F)cc3)c12
InChIInChI=1S/C25H27FN4O3/c1-33-24-19(25(32)27-15-22(31)28-18-5-3-2-4-6-18)12-14-21-23(24)20(29-30-21)13-9-16-7-10-17(26)11-8-16/h7-14,18H,2-6,15H2,1H3,(H,27,32)(H,28,31)(H,29,30)
InChIKeyQWORUCJYOMWUBS-UHFFFAOYSA-N
MW450.51 g/mol
LogP4.06
Rot. Bonds7

About N-[2-(cyclohexylamino)-2-oxoethyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide

N-[2-(cyclohexylamino)-2-oxoethyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide (PubChem CID 68935587) has the molecular formula C25H27FN4O3 and a molecular weight of 450.51 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxoethyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxoethyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
PubChem CID68935587
Molecular FormulaC25H27FN4O3
Molecular Weight450.51 g/mol
Exact Mass450.21
IUPAC NameN-[2-(cyclohexylamino)-2-oxoethyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCC(=O)NC2CCCCC2)ccc2[nH]nc(C=Cc3ccc(F)cc3)c12
InChIInChI=1S/C25H27FN4O3/c1-33-24-19(25(32)27-15-22(31)28-18-5-3-2-4-6-18)12-14-21-23(24)20(29-30-21)13-9-16-7-10-17(26)11-8-16/h7-14,18H,2-6,15H2,1H3,(H,27,32)(H,28,31)(H,29,30)
InChIKeyQWORUCJYOMWUBS-UHFFFAOYSA-N
XLogP4.06
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-piperidin-4-yl-1H-indazole-5-carboxamide
CID 72628015
N-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
CID 90916059
3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(1H-pyrrol-2-ylmethyl)-1H-indazole-5-carboxamide
CID 91101370
3-[2-(4-fluorophenyl)ethenyl]-N-(3-imidazol-1-ylpropyl)-4-methoxy-1H-indazole-5-carboxamide
CID 72628063
3-[(E)-2-(3,4-difluorophenyl)ethenyl]-N-(2-iminoethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 142836253
N-cyclopropyl-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide
CID 68933586
3-[2-(1-benzofuran-5-yl)ethenyl]-N-(cyclopropylmethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 69284821
3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-1H-indazole-5-carboxamide
CID 68934311
3-[2-(4-fluoro-3-methoxyphenyl)ethenyl]-4-methoxy-N-(pyridin-2-ylmethyl)-1H-indazole-5-carboxamide
CID 91235662
3-[2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide
CID 91456024
3-[2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methoxy-2H-indazole-5-carboxamide
CID 136651581
3-[2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-1H-indazole-5-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide (CID 68935587) is N-[2-(cyclohexylamino)-2-oxoethyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxoethyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxoethyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide is COc1c(C(=O)NCC(=O)NC2CCCCC2)ccc2[nH]nc(C=Cc3ccc(F)cc3)c12.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxoethyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide?
The InChIKey is QWORUCJYOMWUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O3/c1-33-24-19(25(32)27-15-22(31)28-18-5-3-2-4-6-18)12-14-21-23(24)20(29-30-21)13-9-16-7-10-17(26)11-8-16/h7-14,18H,2-6,15H2,1H3,(H,27,32)(H,28,31)(H,29,30).
What are the key properties of N-[2-(cyclohexylamino)-2-oxoethyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide?
N-[2-(cyclohexylamino)-2-oxoethyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide has a molecular weight of 450.51 g/mol, XLogP of 4.06, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxoethyl]-3-[2-(4-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carboxamide is sourced from PubChem (CID 68935587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).