7-fluoro-4-methyl-N-[(2-prop-2-enoyl-6-oxa-2-azaspiro[3.4]octan-7-yl)methyl]-1H-indole-2-carboxamide

C20H22FN3O3 — CID 166424614

IUPAC7-fluoro-4-methyl-N-[(2-prop-2-enoyl-6-oxa-2-azaspiro[3.4]octan-7-yl)methyl]-1H-indole-2-carboxamide
SMILESC=CC(=O)N1CC2(COC(CNC(=O)c3cc4c(C)ccc(F)c4[nH]3)C2)C1
InChIInChI=1S/C20H22FN3O3/c1-3-17(25)24-9-20(10-24)7-13(27-11-20)8-22-19(26)16-6-14-12(2)4-5-15(21)18(14)23-16/h3-6,13,23H,1,7-11H2,2H3,(H,22,26)
InChIKeyIHULDEXBKLIZLP-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.15
Rot. Bonds4

About 7-fluoro-4-methyl-N-[(2-prop-2-enoyl-6-oxa-2-azaspiro[3.4]octan-7-yl)methyl]-1H-indole-2-carboxamide

7-fluoro-4-methyl-N-[(2-prop-2-enoyl-6-oxa-2-azaspiro[3.4]octan-7-yl)methyl]-1H-indole-2-carboxamide (PubChem CID 166424614) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is 7-fluoro-4-methyl-N-[(2-prop-2-enoyl-6-oxa-2-azaspiro[3.4]octan-7-yl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-4-methyl-N-[(2-prop-2-enoyl-6-oxa-2-azaspiro[3.4]octan-7-yl)methyl]-1H-indole-2-carboxamide
PubChem CID166424614
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name7-fluoro-4-methyl-N-[(2-prop-2-enoyl-6-oxa-2-azaspiro[3.4]octan-7-yl)methyl]-1H-indole-2-carboxamide
SMILESC=CC(=O)N1CC2(COC(CNC(=O)c3cc4c(C)ccc(F)c4[nH]3)C2)C1
InChIInChI=1S/C20H22FN3O3/c1-3-17(25)24-9-20(10-24)7-13(27-11-20)8-22-19(26)16-6-14-12(2)4-5-15(21)18(14)23-16/h3-6,13,23H,1,7-11H2,2H3,(H,22,26)
InChIKeyIHULDEXBKLIZLP-UHFFFAOYSA-N
XLogP2.15
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 7-fluoro-4-methyl-N-[(2-prop-2-enoyl-6-oxa-2-azaspiro[3.4]octan-7-yl)methyl]-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-methyl-N-[(2-prop-2-enoyl-6-oxa-2-azaspiro[3.4]octan-7-yl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 7-fluoro-4-methyl-N-[(2-prop-2-enoyl-6-oxa-2-azaspiro[3.4]octan-7-yl)methyl]-1H-indole-2-carboxamide (CID 166424614) is 7-fluoro-4-methyl-N-[(2-prop-2-enoyl-6-oxa-2-azaspiro[3.4]octan-7-yl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 7-fluoro-4-methyl-N-[(2-prop-2-enoyl-6-oxa-2-azaspiro[3.4]octan-7-yl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 7-fluoro-4-methyl-N-[(2-prop-2-enoyl-6-oxa-2-azaspiro[3.4]octan-7-yl)methyl]-1H-indole-2-carboxamide is C=CC(=O)N1CC2(COC(CNC(=O)c3cc4c(C)ccc(F)c4[nH]3)C2)C1.
What is the InChIKey of 7-fluoro-4-methyl-N-[(2-prop-2-enoyl-6-oxa-2-azaspiro[3.4]octan-7-yl)methyl]-1H-indole-2-carboxamide?
The InChIKey is IHULDEXBKLIZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-3-17(25)24-9-20(10-24)7-13(27-11-20)8-22-19(26)16-6-14-12(2)4-5-15(21)18(14)23-16/h3-6,13,23H,1,7-11H2,2H3,(H,22,26).
What are the key properties of 7-fluoro-4-methyl-N-[(2-prop-2-enoyl-6-oxa-2-azaspiro[3.4]octan-7-yl)methyl]-1H-indole-2-carboxamide?
7-fluoro-4-methyl-N-[(2-prop-2-enoyl-6-oxa-2-azaspiro[3.4]octan-7-yl)methyl]-1H-indole-2-carboxamide has a molecular weight of 371.41 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-methyl-N-[(2-prop-2-enoyl-6-oxa-2-azaspiro[3.4]octan-7-yl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 166424614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).