N-[(2R)-2-[6-fluoro-5-[2-(3-methylpyrazol-1-yl)ethoxy]-1H-indol-3-yl]propyl]acetamide

C19H23FN4O2 — CID 122697968

IUPACN-[(2R)-2-[6-fluoro-5-[2-(3-methylpyrazol-1-yl)ethoxy]-1H-indol-3-yl]propyl]acetamide
SMILESCC(=O)NC[C@H](C)c1c[nH]c2cc(F)c(OCCn3ccc(C)n3)cc12
InChIInChI=1S/C19H23FN4O2/c1-12(10-21-14(3)25)16-11-22-18-9-17(20)19(8-15(16)18)26-7-6-24-5-4-13(2)23-24/h4-5,8-9,11-12,22H,6-7,10H2,1-3H3,(H,21,25)/t12-/m0/s1
InChIKeyNPLKNDNIARJKEX-LBPRGKRZSA-N
MW358.42 g/mol
LogP3.13
Rot. Bonds7

About N-[(2R)-2-[6-fluoro-5-[2-(3-methylpyrazol-1-yl)ethoxy]-1H-indol-3-yl]propyl]acetamide

N-[(2R)-2-[6-fluoro-5-[2-(3-methylpyrazol-1-yl)ethoxy]-1H-indol-3-yl]propyl]acetamide (PubChem CID 122697968) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[(2R)-2-[6-fluoro-5-[2-(3-methylpyrazol-1-yl)ethoxy]-1H-indol-3-yl]propyl]acetamide.

Molecular Properties

Compound NameN-[(2R)-2-[6-fluoro-5-[2-(3-methylpyrazol-1-yl)ethoxy]-1H-indol-3-yl]propyl]acetamide
PubChem CID122697968
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC NameN-[(2R)-2-[6-fluoro-5-[2-(3-methylpyrazol-1-yl)ethoxy]-1H-indol-3-yl]propyl]acetamide
SMILESCC(=O)NC[C@H](C)c1c[nH]c2cc(F)c(OCCn3ccc(C)n3)cc12
InChIInChI=1S/C19H23FN4O2/c1-12(10-21-14(3)25)16-11-22-18-9-17(20)19(8-15(16)18)26-7-6-24-5-4-13(2)23-24/h4-5,8-9,11-12,22H,6-7,10H2,1-3H3,(H,21,25)/t12-/m0/s1
InChIKeyNPLKNDNIARJKEX-LBPRGKRZSA-N
XLogP3.13
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 896
2,2,2-trifluoro-N-((1S,2R)-2-((1-(4-fluorophenyl)-1H-indazol-5-yl)oxy)-2-(3-methoxyphenyl)-1-methylethyl)acetamide
CID 24825740
A-443654
CID 10172943
Mizacorat
CID 121248172
N-Propionyl-5-methoxytryptamine
CID 395810
N-Acetyl-5-benzyloxytryptamine
CID 563605
4-Fluoro-5-methoxy-3-(2-pyrrolidin-1-yl-ethyl)-1H-indole
CID 10015574
beta,beta-Dimethylmelatonin
CID 11536239
beta-Methylmelatonin
CID 11630146
2,2,2-Trifluoro-N-[(1r,2s)-1-{[1-(4-Fluorophenyl)-1h-Indazol-5-Yl]oxy}-1-Phenylpropan-2-Yl]acetamide
CID 25013322
Azd-2906
CID 25013811
5-(Nonyloxy)tryptamine
CID 1797

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[6-fluoro-5-[2-(3-methylpyrazol-1-yl)ethoxy]-1H-indol-3-yl]propyl]acetamide?
The IUPAC name of N-[(2R)-2-[6-fluoro-5-[2-(3-methylpyrazol-1-yl)ethoxy]-1H-indol-3-yl]propyl]acetamide (CID 122697968) is N-[(2R)-2-[6-fluoro-5-[2-(3-methylpyrazol-1-yl)ethoxy]-1H-indol-3-yl]propyl]acetamide.
What is the SMILES notation for N-[(2R)-2-[6-fluoro-5-[2-(3-methylpyrazol-1-yl)ethoxy]-1H-indol-3-yl]propyl]acetamide?
The canonical SMILES for N-[(2R)-2-[6-fluoro-5-[2-(3-methylpyrazol-1-yl)ethoxy]-1H-indol-3-yl]propyl]acetamide is CC(=O)NC[C@H](C)c1c[nH]c2cc(F)c(OCCn3ccc(C)n3)cc12.
What is the InChIKey of N-[(2R)-2-[6-fluoro-5-[2-(3-methylpyrazol-1-yl)ethoxy]-1H-indol-3-yl]propyl]acetamide?
The InChIKey is NPLKNDNIARJKEX-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-12(10-21-14(3)25)16-11-22-18-9-17(20)19(8-15(16)18)26-7-6-24-5-4-13(2)23-24/h4-5,8-9,11-12,22H,6-7,10H2,1-3H3,(H,21,25)/t12-/m0/s1.
What are the key properties of N-[(2R)-2-[6-fluoro-5-[2-(3-methylpyrazol-1-yl)ethoxy]-1H-indol-3-yl]propyl]acetamide?
N-[(2R)-2-[6-fluoro-5-[2-(3-methylpyrazol-1-yl)ethoxy]-1H-indol-3-yl]propyl]acetamide has a molecular weight of 358.42 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[6-fluoro-5-[2-(3-methylpyrazol-1-yl)ethoxy]-1H-indol-3-yl]propyl]acetamide is sourced from PubChem (CID 122697968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).