6-amino-3-(4-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-yl)-2-fluoro-N,N-dimethylbenzamide

C19H20ClFN4O — CID 146536709

IUPAC6-amino-3-(4-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-yl)-2-fluoro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1c(N)ccc(-c2cnc3c(c2Cl)C2(CCC2)CN3)c1F
InChIInChI=1S/C19H20ClFN4O/c1-25(2)18(26)13-12(22)5-4-10(16(13)21)11-8-23-17-14(15(11)20)19(9-24-17)6-3-7-19/h4-5,8H,3,6-7,9,22H2,1-2H3,(H,23,24)
InChIKeyLPWDUOLOTCVMSN-UHFFFAOYSA-N
MW374.85 g/mol
LogP3.67
Rot. Bonds2

About 6-amino-3-(4-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-yl)-2-fluoro-N,N-dimethylbenzamide

6-amino-3-(4-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-yl)-2-fluoro-N,N-dimethylbenzamide (PubChem CID 146536709) has the molecular formula C19H20ClFN4O and a molecular weight of 374.85 g/mol. Its IUPAC name is 6-amino-3-(4-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-yl)-2-fluoro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name6-amino-3-(4-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-yl)-2-fluoro-N,N-dimethylbenzamide
PubChem CID146536709
Molecular FormulaC19H20ClFN4O
Molecular Weight374.85 g/mol
Exact Mass374.13
IUPAC Name6-amino-3-(4-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-yl)-2-fluoro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1c(N)ccc(-c2cnc3c(c2Cl)C2(CCC2)CN3)c1F
InChIInChI=1S/C19H20ClFN4O/c1-25(2)18(26)13-12(22)5-4-10(16(13)21)11-8-23-17-14(15(11)20)19(9-24-17)6-3-7-19/h4-5,8H,3,6-7,9,22H2,1-2H3,(H,23,24)
InChIKeyLPWDUOLOTCVMSN-UHFFFAOYSA-N
XLogP3.67
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-amino-3-(4-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-yl)-2-fluoro-N,N-dimethylbenzamide 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 6-amino-3-(4-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-yl)-2-fluoro-N,N-dimethylbenzamide?
The IUPAC name of 6-amino-3-(4-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-yl)-2-fluoro-N,N-dimethylbenzamide (CID 146536709) is 6-amino-3-(4-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-yl)-2-fluoro-N,N-dimethylbenzamide.
What is the SMILES notation for 6-amino-3-(4-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-yl)-2-fluoro-N,N-dimethylbenzamide?
The canonical SMILES for 6-amino-3-(4-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-yl)-2-fluoro-N,N-dimethylbenzamide is CN(C)C(=O)c1c(N)ccc(-c2cnc3c(c2Cl)C2(CCC2)CN3)c1F.
What is the InChIKey of 6-amino-3-(4-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-yl)-2-fluoro-N,N-dimethylbenzamide?
The InChIKey is LPWDUOLOTCVMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN4O/c1-25(2)18(26)13-12(22)5-4-10(16(13)21)11-8-23-17-14(15(11)20)19(9-24-17)6-3-7-19/h4-5,8H,3,6-7,9,22H2,1-2H3,(H,23,24).
What are the key properties of 6-amino-3-(4-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-yl)-2-fluoro-N,N-dimethylbenzamide?
6-amino-3-(4-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-yl)-2-fluoro-N,N-dimethylbenzamide has a molecular weight of 374.85 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(4-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-yl)-2-fluoro-N,N-dimethylbenzamide is sourced from PubChem (CID 146536709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).