N-[2-[6-fluoro-2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide

C19H23FN4O3 — CID 122684775

IUPACN-[2-[6-fluoro-2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1c(C)[nH]c2cc(F)c(OCCOc3ccn(C)n3)cc12
InChIInChI=1S/C19H23FN4O3/c1-12-14(4-6-21-13(2)25)15-10-18(16(20)11-17(15)22-12)26-8-9-27-19-5-7-24(3)23-19/h5,7,10-11,22H,4,6,8-9H2,1-3H3,(H,21,25)
InChIKeyFQTMSZSRRUYNKC-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.49
Rot. Bonds8

About N-[2-[6-fluoro-2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide

N-[2-[6-fluoro-2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide (PubChem CID 122684775) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is N-[2-[6-fluoro-2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[6-fluoro-2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide
PubChem CID122684775
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC NameN-[2-[6-fluoro-2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1c(C)[nH]c2cc(F)c(OCCOc3ccn(C)n3)cc12
InChIInChI=1S/C19H23FN4O3/c1-12-14(4-6-21-13(2)25)15-10-18(16(20)11-17(15)22-12)26-8-9-27-19-5-7-24(3)23-19/h5,7,10-11,22H,4,6,8-9H2,1-3H3,(H,21,25)
InChIKeyFQTMSZSRRUYNKC-UHFFFAOYSA-N
XLogP2.49
TPSA81.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 563605
Efppea
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Azd-2906
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5-Heat
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(2s)-N-[4-[1-Methyl-3-(1-Methylpyrazol-4-Yl)indol-5-Yl]oxyphenyl]pyrrolidine-2-Carboxamide
CID 91668557
2-(5-{2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-ethoxy}-1H-indol-3-yl)-ethylamine
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2-(5-{6-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-hexyloxy}-1H-indol-3-yl)-ethylamine
CID 10836606
2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-N-{2-[3-(2-amino-ethyl)-1H-indol-5-yloxy]-ethyl}-acetamide
CID 11797158
N-[2-(4-ethyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]propanamide
CID 24954990
N-[2-(4-methyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]acetamide
CID 24954991
N-{2-[2-(trifluoromethyl)-8,9-dihydrofuro[3,2-c]pyrazolo[1,5-a]pyridin-1-yl]ethyl}acetamide
CID 24954992
N-[2-(4-phenyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]acetamide
CID 24955343

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-fluoro-2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[6-fluoro-2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide (CID 122684775) is N-[2-[6-fluoro-2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[6-fluoro-2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[6-fluoro-2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide is CC(=O)NCCc1c(C)[nH]c2cc(F)c(OCCOc3ccn(C)n3)cc12.
What is the InChIKey of N-[2-[6-fluoro-2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide?
The InChIKey is FQTMSZSRRUYNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-12-14(4-6-21-13(2)25)15-10-18(16(20)11-17(15)22-12)26-8-9-27-19-5-7-24(3)23-19/h5,7,10-11,22H,4,6,8-9H2,1-3H3,(H,21,25).
What are the key properties of N-[2-[6-fluoro-2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide?
N-[2-[6-fluoro-2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide has a molecular weight of 374.42 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-fluoro-2-methyl-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]ethyl]acetamide is sourced from PubChem (CID 122684775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).