5-fluoro-N,N-dimethyl-1'-[[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide

C23H30FN5OS — CID 59598866

IUPAC5-fluoro-N,N-dimethyl-1'-[[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCN(C)C(=O)N1CC2(CCN(CC3CCN(c4nccs4)C3)CC2)c2cc(F)ccc21
InChIInChI=1S/C23H30FN5OS/c1-26(2)22(30)29-16-23(19-13-18(24)3-4-20(19)29)6-10-27(11-7-23)14-17-5-9-28(15-17)21-25-8-12-31-21/h3-4,8,12-13,17H,5-7,9-11,14-16H2,1-2H3
InChIKeyYVZXTLAYJWSYCA-UHFFFAOYSA-N
MW443.59 g/mol
LogP3.64
Rot. Bonds3

About 5-fluoro-N,N-dimethyl-1'-[[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide

5-fluoro-N,N-dimethyl-1'-[[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide (PubChem CID 59598866) has the molecular formula C23H30FN5OS and a molecular weight of 443.59 g/mol. Its IUPAC name is 5-fluoro-N,N-dimethyl-1'-[[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-N,N-dimethyl-1'-[[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
PubChem CID59598866
Molecular FormulaC23H30FN5OS
Molecular Weight443.59 g/mol
Exact Mass443.22
IUPAC Name5-fluoro-N,N-dimethyl-1'-[[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
SMILESCN(C)C(=O)N1CC2(CCN(CC3CCN(c4nccs4)C3)CC2)c2cc(F)ccc21
InChIInChI=1S/C23H30FN5OS/c1-26(2)22(30)29-16-23(19-13-18(24)3-4-20(19)29)6-10-27(11-7-23)14-17-5-9-28(15-17)21-25-8-12-31-21/h3-4,8,12-13,17H,5-7,9-11,14-16H2,1-2H3
InChIKeyYVZXTLAYJWSYCA-UHFFFAOYSA-N
XLogP3.64
TPSA42.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-N,N-dimethyl-1'-[[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-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 5-fluoro-N,N-dimethyl-1'-[[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The IUPAC name of 5-fluoro-N,N-dimethyl-1'-[[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide (CID 59598866) is 5-fluoro-N,N-dimethyl-1'-[[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for 5-fluoro-N,N-dimethyl-1'-[[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for 5-fluoro-N,N-dimethyl-1'-[[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide is CN(C)C(=O)N1CC2(CCN(CC3CCN(c4nccs4)C3)CC2)c2cc(F)ccc21.
What is the InChIKey of 5-fluoro-N,N-dimethyl-1'-[[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
The InChIKey is YVZXTLAYJWSYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN5OS/c1-26(2)22(30)29-16-23(19-13-18(24)3-4-20(19)29)6-10-27(11-7-23)14-17-5-9-28(15-17)21-25-8-12-31-21/h3-4,8,12-13,17H,5-7,9-11,14-16H2,1-2H3.
What are the key properties of 5-fluoro-N,N-dimethyl-1'-[[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide?
5-fluoro-N,N-dimethyl-1'-[[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide has a molecular weight of 443.59 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,N-dimethyl-1'-[[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 59598866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).