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

C42H51FN8O3 — CID 146763317

IUPAC5-[[6-[1'-acetyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-ethyl-4-fluoro-2-methylbenzamide
SMILESCCNC(=O)c1cc(Nc2nc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(C)=O)CC3)cc3ncn(C(C)C)c23)c(F)cc1C
InChIInChI=1S/C42H51FN8O3/c1-6-44-40(53)31-22-35(33(43)18-26(31)4)47-39-38-36(45-24-50(38)25(2)3)23-34(46-39)28-10-11-32-37(19-28)51(30-20-29(21-30)49-14-8-7-9-15-49)41(54)42(32)12-16-48(17-13-42)27(5)52/h10-11,18-19,22-25,29-30H,6-9,12-17,20-21H2,1-5H3,(H,44,53)(H,46,47)
InChIKeyRPVUHLZCDGTSKF-UHFFFAOYSA-N
MW734.92 g/mol
LogP6.86
Rot. Bonds8

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

5-[[6-[1'-acetyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-ethyl-4-fluoro-2-methylbenzamide (PubChem CID 146763317) has the molecular formula C42H51FN8O3 and a molecular weight of 734.92 g/mol. Its IUPAC name is 5-[[6-[1'-acetyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-ethyl-4-fluoro-2-methylbenzamide.

Molecular Properties

Compound Name5-[[6-[1'-acetyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-ethyl-4-fluoro-2-methylbenzamide
PubChem CID146763317
Molecular FormulaC42H51FN8O3
Molecular Weight734.92 g/mol
Exact Mass734.41
IUPAC Name5-[[6-[1'-acetyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-ethyl-4-fluoro-2-methylbenzamide
SMILESCCNC(=O)c1cc(Nc2nc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(C)=O)CC3)cc3ncn(C(C)C)c23)c(F)cc1C
InChIInChI=1S/C42H51FN8O3/c1-6-44-40(53)31-22-35(33(43)18-26(31)4)47-39-38-36(45-24-50(38)25(2)3)23-34(46-39)28-10-11-32-37(19-28)51(30-20-29(21-30)49-14-8-7-9-15-49)41(54)42(32)12-16-48(17-13-42)27(5)52/h10-11,18-19,22-25,29-30H,6-9,12-17,20-21H2,1-5H3,(H,44,53)(H,46,47)
InChIKeyRPVUHLZCDGTSKF-UHFFFAOYSA-N
XLogP6.86
TPSA115.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.92
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[[6-[1'-acetyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-ethyl-4-fluoro-2-methylbenzamide 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[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-ethyl-4-fluoro-2-methylbenzamide?
The IUPAC name of 5-[[6-[1'-acetyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-ethyl-4-fluoro-2-methylbenzamide (CID 146763317) is 5-[[6-[1'-acetyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-ethyl-4-fluoro-2-methylbenzamide.
What is the SMILES notation for 5-[[6-[1'-acetyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-ethyl-4-fluoro-2-methylbenzamide?
The canonical SMILES for 5-[[6-[1'-acetyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-ethyl-4-fluoro-2-methylbenzamide is CCNC(=O)c1cc(Nc2nc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(C)=O)CC3)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[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-ethyl-4-fluoro-2-methylbenzamide?
The InChIKey is RPVUHLZCDGTSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H51FN8O3/c1-6-44-40(53)31-22-35(33(43)18-26(31)4)47-39-38-36(45-24-50(38)25(2)3)23-34(46-39)28-10-11-32-37(19-28)51(30-20-29(21-30)49-14-8-7-9-15-49)41(54)42(32)12-16-48(17-13-42)27(5)52/h10-11,18-19,22-25,29-30H,6-9,12-17,20-21H2,1-5H3,(H,44,53)(H,46,47).
What are the key properties of 5-[[6-[1'-acetyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-ethyl-4-fluoro-2-methylbenzamide?
5-[[6-[1'-acetyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-ethyl-4-fluoro-2-methylbenzamide has a molecular weight of 734.92 g/mol, XLogP of 6.86, 8 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[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-N-ethyl-4-fluoro-2-methylbenzamide is sourced from PubChem (CID 146763317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).