N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-[(5-fluoro-1H-indol-3-yl)methyl]-2-methoxy-2-phenylacetamide

C24H25FN4O2 — CID 42791789

IUPACN-[(1,5-dimethylpyrazol-3-yl)methyl]-N-[(5-fluoro-1H-indol-3-yl)methyl]-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)N(Cc1cc(C)n(C)n1)Cc1c[nH]c2ccc(F)cc12)c1ccccc1
InChIInChI=1S/C24H25FN4O2/c1-16-11-20(27-28(16)2)15-29(24(30)23(31-3)17-7-5-4-6-8-17)14-18-13-26-22-10-9-19(25)12-21(18)22/h4-13,23,26H,14-15H2,1-3H3
InChIKeyVHENSGVGKHHWLD-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.27
Rot. Bonds7

About N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-[(5-fluoro-1H-indol-3-yl)methyl]-2-methoxy-2-phenylacetamide

N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-[(5-fluoro-1H-indol-3-yl)methyl]-2-methoxy-2-phenylacetamide (PubChem CID 42791789) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-[(5-fluoro-1H-indol-3-yl)methyl]-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-3-yl)methyl]-N-[(5-fluoro-1H-indol-3-yl)methyl]-2-methoxy-2-phenylacetamide
PubChem CID42791789
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC NameN-[(1,5-dimethylpyrazol-3-yl)methyl]-N-[(5-fluoro-1H-indol-3-yl)methyl]-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)N(Cc1cc(C)n(C)n1)Cc1c[nH]c2ccc(F)cc12)c1ccccc1
InChIInChI=1S/C24H25FN4O2/c1-16-11-20(27-28(16)2)15-29(24(30)23(31-3)17-7-5-4-6-8-17)14-18-13-26-22-10-9-19(25)12-21(18)22/h4-13,23,26H,14-15H2,1-3H3
InChIKeyVHENSGVGKHHWLD-UHFFFAOYSA-N
XLogP4.27
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)carbamoyl]methyl 2-(1H-indol-3-yl)acetate
CID 7665603
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]cyclobutane-1-carboxamide
CID 156815859
[2-(diethylamino)-2-oxo-ethyl] 5-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-indol-7-yl]-1H-pyrazole-3-carboxylate
CID 507997
ALP-POS-a3de0cb1-14
CID 156907075
Shewanelline A
CID 156581137
Shewanelline B
CID 156581138
(2S,3R)-N-[2-(1H-indol-3-yl)ethyl]-3-phenyloxirane-2-carboxamide
CID 148218887
1H-indol-4-yl[3-(methoxymethyl)-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 71837271
N-[2-(1H-indol-3-yl)ethyl]-3-phenyloxirane-2-carboxamide
CID 85731811
2-[butyl-(2-phenylmethoxyacetyl)amino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 3714710
N-[1-(2-{[(5-fluoro-1H-indol-2-yl)methyl]amino}-2-oxoethyl)-1H-pyrazol-4-yl]-2-(2-methoxyphenyl)acetamide
CID 26329650
1-[2-[(2-fluorophenyl)methoxymethyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one
CID 71958502

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-[(5-fluoro-1H-indol-3-yl)methyl]-2-methoxy-2-phenylacetamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-[(5-fluoro-1H-indol-3-yl)methyl]-2-methoxy-2-phenylacetamide (CID 42791789) is N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-[(5-fluoro-1H-indol-3-yl)methyl]-2-methoxy-2-phenylacetamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-[(5-fluoro-1H-indol-3-yl)methyl]-2-methoxy-2-phenylacetamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-[(5-fluoro-1H-indol-3-yl)methyl]-2-methoxy-2-phenylacetamide is COC(C(=O)N(Cc1cc(C)n(C)n1)Cc1c[nH]c2ccc(F)cc12)c1ccccc1.
What is the InChIKey of N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-[(5-fluoro-1H-indol-3-yl)methyl]-2-methoxy-2-phenylacetamide?
The InChIKey is VHENSGVGKHHWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c1-16-11-20(27-28(16)2)15-29(24(30)23(31-3)17-7-5-4-6-8-17)14-18-13-26-22-10-9-19(25)12-21(18)22/h4-13,23,26H,14-15H2,1-3H3.
What are the key properties of N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-[(5-fluoro-1H-indol-3-yl)methyl]-2-methoxy-2-phenylacetamide?
N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-[(5-fluoro-1H-indol-3-yl)methyl]-2-methoxy-2-phenylacetamide has a molecular weight of 420.49 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-3-yl)methyl]-N-[(5-fluoro-1H-indol-3-yl)methyl]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 42791789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).