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]-4-fluoro-2-methyl-N-(2-methylpropyl)benzamide

C44H55FN8O3 — CID 149467264

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]-4-fluoro-2-methyl-N-(2-methylpropyl)benzamide
SMILESCC(=O)N1CCC2(CC1)C(=O)N(C1CC(N3CCCCC3)C1)c1cc(-c3cc4ncn(C(C)C)c4c(Nc4cc(C(=O)NCC(C)C)c(C)cc4F)n3)ccc12
InChIInChI=1S/C44H55FN8O3/c1-26(2)24-46-42(55)33-22-37(35(45)18-28(33)5)49-41-40-38(47-25-52(40)27(3)4)23-36(48-41)30-10-11-34-39(19-30)53(32-20-31(21-32)51-14-8-7-9-15-51)43(56)44(34)12-16-50(17-13-44)29(6)54/h10-11,18-19,22-23,25-27,31-32H,7-9,12-17,20-21,24H2,1-6H3,(H,46,55)(H,48,49)
InChIKeyZAQXKOVVZASGSH-UHFFFAOYSA-N
MW762.98 g/mol
LogP7.50
Rot. Bonds9

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]-4-fluoro-2-methyl-N-(2-methylpropyl)benzamide

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]-4-fluoro-2-methyl-N-(2-methylpropyl)benzamide (PubChem CID 149467264) has the molecular formula C44H55FN8O3 and a molecular weight of 762.98 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]-4-fluoro-2-methyl-N-(2-methylpropyl)benzamide.

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]-4-fluoro-2-methyl-N-(2-methylpropyl)benzamide
PubChem CID149467264
Molecular FormulaC44H55FN8O3
Molecular Weight762.98 g/mol
Exact Mass762.44
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]-4-fluoro-2-methyl-N-(2-methylpropyl)benzamide
SMILESCC(=O)N1CCC2(CC1)C(=O)N(C1CC(N3CCCCC3)C1)c1cc(-c3cc4ncn(C(C)C)c4c(Nc4cc(C(=O)NCC(C)C)c(C)cc4F)n3)ccc12
InChIInChI=1S/C44H55FN8O3/c1-26(2)24-46-42(55)33-22-37(35(45)18-28(33)5)49-41-40-38(47-25-52(40)27(3)4)23-36(48-41)30-10-11-34-39(19-30)53(32-20-31(21-32)51-14-8-7-9-15-51)43(56)44(34)12-16-50(17-13-44)29(6)54/h10-11,18-19,22-23,25-27,31-32H,7-9,12-17,20-21,24H2,1-6H3,(H,46,55)(H,48,49)
InChIKeyZAQXKOVVZASGSH-UHFFFAOYSA-N
XLogP7.50
TPSA115.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.98
LogP ≤ 57.50
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]-4-fluoro-2-methyl-N-(2-methylpropyl)benzamide with MolForge

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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]-4-fluoro-2-methyl-N-(2-methylpropyl)benzamide?
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]-4-fluoro-2-methyl-N-(2-methylpropyl)benzamide (CID 149467264) 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]-4-fluoro-2-methyl-N-(2-methylpropyl)benzamide.
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]-4-fluoro-2-methyl-N-(2-methylpropyl)benzamide?
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]-4-fluoro-2-methyl-N-(2-methylpropyl)benzamide is CC(=O)N1CCC2(CC1)C(=O)N(C1CC(N3CCCCC3)C1)c1cc(-c3cc4ncn(C(C)C)c4c(Nc4cc(C(=O)NCC(C)C)c(C)cc4F)n3)ccc12.
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]-4-fluoro-2-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is ZAQXKOVVZASGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H55FN8O3/c1-26(2)24-46-42(55)33-22-37(35(45)18-28(33)5)49-41-40-38(47-25-52(40)27(3)4)23-36(48-41)30-10-11-34-39(19-30)53(32-20-31(21-32)51-14-8-7-9-15-51)43(56)44(34)12-16-50(17-13-44)29(6)54/h10-11,18-19,22-23,25-27,31-32H,7-9,12-17,20-21,24H2,1-6H3,(H,46,55)(H,48,49).
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]-4-fluoro-2-methyl-N-(2-methylpropyl)benzamide?
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]-4-fluoro-2-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 762.98 g/mol, XLogP of 7.50, 9 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]-4-fluoro-2-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 149467264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).