5-[[6-[1-acetyl-2'-oxo-1'-(3-piperidin-1-ylcyclobutyl)spiro[azetidine-3,3'-indole]-6'-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-N,2-dimethylbenzamide

C39H45FN8O3 — CID 147060131

IUPAC5-[[6-[1-acetyl-2'-oxo-1'-(3-piperidin-1-ylcyclobutyl)spiro[azetidine-3,3'-indole]-6'-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-N,2-dimethylbenzamide
SMILESCNC(=O)c1cc(Nc2nc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CN(C(C)=O)C3)cc3ncn(C(C)C)c23)c(F)cc1C
InChIInChI=1S/C39H45FN8O3/c1-22(2)47-21-42-33-18-31(43-36(35(33)47)44-32-17-28(37(50)41-5)23(3)13-30(32)40)25-9-10-29-34(14-25)48(38(51)39(29)19-46(20-39)24(4)49)27-15-26(16-27)45-11-7-6-8-12-45/h9-10,13-14,17-18,21-22,26-27H,6-8,11-12,15-16,19-20H2,1-5H3,(H,41,50)(H,43,44)
InChIKeyBCZYLSNXIXDCJQ-UHFFFAOYSA-N
MW692.84 g/mol
LogP5.69
Rot. Bonds7

About 5-[[6-[1-acetyl-2'-oxo-1'-(3-piperidin-1-ylcyclobutyl)spiro[azetidine-3,3'-indole]-6'-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-N,2-dimethylbenzamide

5-[[6-[1-acetyl-2'-oxo-1'-(3-piperidin-1-ylcyclobutyl)spiro[azetidine-3,3'-indole]-6'-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-N,2-dimethylbenzamide (PubChem CID 147060131) has the molecular formula C39H45FN8O3 and a molecular weight of 692.84 g/mol. Its IUPAC name is 5-[[6-[1-acetyl-2'-oxo-1'-(3-piperidin-1-ylcyclobutyl)spiro[azetidine-3,3'-indole]-6'-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-N,2-dimethylbenzamide.

Molecular Properties

Compound Name5-[[6-[1-acetyl-2'-oxo-1'-(3-piperidin-1-ylcyclobutyl)spiro[azetidine-3,3'-indole]-6'-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-N,2-dimethylbenzamide
PubChem CID147060131
Molecular FormulaC39H45FN8O3
Molecular Weight692.84 g/mol
Exact Mass692.36
IUPAC Name5-[[6-[1-acetyl-2'-oxo-1'-(3-piperidin-1-ylcyclobutyl)spiro[azetidine-3,3'-indole]-6'-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-N,2-dimethylbenzamide
SMILESCNC(=O)c1cc(Nc2nc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CN(C(C)=O)C3)cc3ncn(C(C)C)c23)c(F)cc1C
InChIInChI=1S/C39H45FN8O3/c1-22(2)47-21-42-33-18-31(43-36(35(33)47)44-32-17-28(37(50)41-5)23(3)13-30(32)40)25-9-10-29-34(14-25)48(38(51)39(29)19-46(20-39)24(4)49)27-15-26(16-27)45-11-7-6-8-12-45/h9-10,13-14,17-18,21-22,26-27H,6-8,11-12,15-16,19-20H2,1-5H3,(H,41,50)(H,43,44)
InChIKeyBCZYLSNXIXDCJQ-UHFFFAOYSA-N
XLogP5.69
TPSA115.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.84
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[[6-[1-acetyl-2'-oxo-1'-(3-piperidin-1-ylcyclobutyl)spiro[azetidine-3,3'-indole]-6'-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-N,2-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 5-[[6-[1-acetyl-2'-oxo-1'-(3-piperidin-1-ylcyclobutyl)spiro[azetidine-3,3'-indole]-6'-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-N,2-dimethylbenzamide?
The IUPAC name of 5-[[6-[1-acetyl-2'-oxo-1'-(3-piperidin-1-ylcyclobutyl)spiro[azetidine-3,3'-indole]-6'-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-N,2-dimethylbenzamide (CID 147060131) is 5-[[6-[1-acetyl-2'-oxo-1'-(3-piperidin-1-ylcyclobutyl)spiro[azetidine-3,3'-indole]-6'-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-N,2-dimethylbenzamide.
What is the SMILES notation for 5-[[6-[1-acetyl-2'-oxo-1'-(3-piperidin-1-ylcyclobutyl)spiro[azetidine-3,3'-indole]-6'-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-N,2-dimethylbenzamide?
The canonical SMILES for 5-[[6-[1-acetyl-2'-oxo-1'-(3-piperidin-1-ylcyclobutyl)spiro[azetidine-3,3'-indole]-6'-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-N,2-dimethylbenzamide is CNC(=O)c1cc(Nc2nc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CN(C(C)=O)C3)cc3ncn(C(C)C)c23)c(F)cc1C.
What is the InChIKey of 5-[[6-[1-acetyl-2'-oxo-1'-(3-piperidin-1-ylcyclobutyl)spiro[azetidine-3,3'-indole]-6'-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-N,2-dimethylbenzamide?
The InChIKey is BCZYLSNXIXDCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H45FN8O3/c1-22(2)47-21-42-33-18-31(43-36(35(33)47)44-32-17-28(37(50)41-5)23(3)13-30(32)40)25-9-10-29-34(14-25)48(38(51)39(29)19-46(20-39)24(4)49)27-15-26(16-27)45-11-7-6-8-12-45/h9-10,13-14,17-18,21-22,26-27H,6-8,11-12,15-16,19-20H2,1-5H3,(H,41,50)(H,43,44).
What are the key properties of 5-[[6-[1-acetyl-2'-oxo-1'-(3-piperidin-1-ylcyclobutyl)spiro[azetidine-3,3'-indole]-6'-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-N,2-dimethylbenzamide?
5-[[6-[1-acetyl-2'-oxo-1'-(3-piperidin-1-ylcyclobutyl)spiro[azetidine-3,3'-indole]-6'-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-N,2-dimethylbenzamide has a molecular weight of 692.84 g/mol, XLogP of 5.69, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[1-acetyl-2'-oxo-1'-(3-piperidin-1-ylcyclobutyl)spiro[azetidine-3,3'-indole]-6'-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-N,2-dimethylbenzamide is sourced from PubChem (CID 147060131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).