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

C19H23FN4O3 — CID 122684790

IUPACN-[(2R)-2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]propyl]acetamide
SMILESCC(=O)NC[C@H](C)c1c[nH]c2cc(F)c(OCCOc3ccn(C)n3)cc12
InChIInChI=1S/C19H23FN4O3/c1-12(10-21-13(2)25)15-11-22-17-9-16(20)18(8-14(15)17)26-6-7-27-19-4-5-24(3)23-19/h4-5,8-9,11-12,22H,6-7,10H2,1-3H3,(H,21,25)/t12-/m0/s1
InChIKeyPQSIYWOCDOGBKS-LBPRGKRZSA-N
MW374.42 g/mol
LogP2.74
Rot. Bonds8

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

N-[(2R)-2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]propyl]acetamide (PubChem CID 122684790) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is N-[(2R)-2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]propyl]acetamide.

Molecular Properties

Compound NameN-[(2R)-2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]propyl]acetamide
PubChem CID122684790
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC NameN-[(2R)-2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]propyl]acetamide
SMILESCC(=O)NC[C@H](C)c1c[nH]c2cc(F)c(OCCOc3ccn(C)n3)cc12
InChIInChI=1S/C19H23FN4O3/c1-12(10-21-13(2)25)15-11-22-17-9-16(20)18(8-14(15)17)26-6-7-27-19-4-5-24(3)23-19/h4-5,8-9,11-12,22H,6-7,10H2,1-3H3,(H,21,25)/t12-/m0/s1
InChIKeyPQSIYWOCDOGBKS-LBPRGKRZSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]propyl]acetamide?
The IUPAC name of N-[(2R)-2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]propyl]acetamide (CID 122684790) is N-[(2R)-2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]propyl]acetamide.
What is the SMILES notation for N-[(2R)-2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]propyl]acetamide?
The canonical SMILES for N-[(2R)-2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]propyl]acetamide is CC(=O)NC[C@H](C)c1c[nH]c2cc(F)c(OCCOc3ccn(C)n3)cc12.
What is the InChIKey of N-[(2R)-2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]propyl]acetamide?
The InChIKey is PQSIYWOCDOGBKS-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-12(10-21-13(2)25)15-11-22-17-9-16(20)18(8-14(15)17)26-6-7-27-19-4-5-24(3)23-19/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-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]propyl]acetamide?
N-[(2R)-2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]propyl]acetamide has a molecular weight of 374.42 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[6-fluoro-5-[2-(1-methylpyrazol-3-yl)oxyethoxy]-1H-indol-3-yl]propyl]acetamide is sourced from PubChem (CID 122684790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).