N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide

C19H23FN4O — CID 56872669

IUPACN-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide
SMILESCCc1[nH]c2c(CNC(=O)CCCc3cn[nH]c3)cc(F)cc2c1C
InChIInChI=1S/C19H23FN4O/c1-3-17-12(2)16-8-15(20)7-14(19(16)24-17)11-21-18(25)6-4-5-13-9-22-23-10-13/h7-10,24H,3-6,11H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyFEVGWYFZJGFNPN-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.54
Rot. Bonds7

About N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide

N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide (PubChem CID 56872669) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide.

Molecular Properties

Compound NameN-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide
PubChem CID56872669
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC NameN-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide
SMILESCCc1[nH]c2c(CNC(=O)CCCc3cn[nH]c3)cc(F)cc2c1C
InChIInChI=1S/C19H23FN4O/c1-3-17-12(2)16-8-15(20)7-14(19(16)24-17)11-21-18(25)6-4-5-13-9-22-23-10-13/h7-10,24H,3-6,11H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyFEVGWYFZJGFNPN-UHFFFAOYSA-N
XLogP3.54
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 42245388
N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide
CID 72864598
2-(1,1-dioxothiolan-3-yl)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]acetamide
CID 56877501
N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]pyrazin-2-amine
CID 56880237
4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 60769926
N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide
CID 131905145
N-[2-(2-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)butanamide
CID 74250779
(4S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide
CID 95555062
2-ethyl-5-fluoro-3,7-dimethyl-1H-indole
CID 65335761
2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide
CID 70730545
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide
CID 131919090
(2S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-imidazol-1-ylpropanamide
CID 95445277

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide?
The IUPAC name of N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide (CID 56872669) is N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide.
What is the SMILES notation for N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide?
The canonical SMILES for N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide is CCc1[nH]c2c(CNC(=O)CCCc3cn[nH]c3)cc(F)cc2c1C.
What is the InChIKey of N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide?
The InChIKey is FEVGWYFZJGFNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-3-17-12(2)16-8-15(20)7-14(19(16)24-17)11-21-18(25)6-4-5-13-9-22-23-10-13/h7-10,24H,3-6,11H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide?
N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide has a molecular weight of 342.42 g/mol, XLogP of 3.54, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide is sourced from PubChem (CID 56872669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).