6-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)pyridazine-3-carboxamide

C36H48N8O3 — CID 170242536

IUPAC6-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)pyridazine-3-carboxamide
SMILESCC1(C)CC(C)(C)C1NC(=O)c1ccc(N2CCC(CN3CCC(n4ccc5c(N6CCC(=O)NC6=O)cccc54)CC3)CC2)nn1
InChIInChI=1S/C36H48N8O3/c1-35(2)23-36(3,4)33(35)38-32(46)27-8-9-30(40-39-27)42-18-10-24(11-19-42)22-41-16-12-25(13-17-41)43-20-14-26-28(43)6-5-7-29(26)44-21-15-31(45)37-34(44)47/h5-9,14,20,24-25,33H,10-13,15-19,21-23H2,1-4H3,(H,38,46)(H,37,45,47)
InChIKeyARUHUXZJVUEXEW-UHFFFAOYSA-N
MW640.83 g/mol
LogP4.99
Rot. Bonds7

About 6-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)pyridazine-3-carboxamide

6-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)pyridazine-3-carboxamide (PubChem CID 170242536) has the molecular formula C36H48N8O3 and a molecular weight of 640.83 g/mol. Its IUPAC name is 6-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)pyridazine-3-carboxamide
PubChem CID170242536
Molecular FormulaC36H48N8O3
Molecular Weight640.83 g/mol
Exact Mass640.38
IUPAC Name6-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)pyridazine-3-carboxamide
SMILESCC1(C)CC(C)(C)C1NC(=O)c1ccc(N2CCC(CN3CCC(n4ccc5c(N6CCC(=O)NC6=O)cccc54)CC3)CC2)nn1
InChIInChI=1S/C36H48N8O3/c1-35(2)23-36(3,4)33(35)38-32(46)27-8-9-30(40-39-27)42-18-10-24(11-19-42)22-41-16-12-25(13-17-41)43-20-14-26-28(43)6-5-7-29(26)44-21-15-31(45)37-34(44)47/h5-9,14,20,24-25,33H,10-13,15-19,21-23H2,1-4H3,(H,38,46)(H,37,45,47)
InChIKeyARUHUXZJVUEXEW-UHFFFAOYSA-N
XLogP4.99
TPSA115.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500640.83
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)pyridazine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)pyridazine-3-carboxamide (CID 170242536) is 6-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)pyridazine-3-carboxamide is CC1(C)CC(C)(C)C1NC(=O)c1ccc(N2CCC(CN3CCC(n4ccc5c(N6CCC(=O)NC6=O)cccc54)CC3)CC2)nn1.
What is the InChIKey of 6-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)pyridazine-3-carboxamide?
The InChIKey is ARUHUXZJVUEXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H48N8O3/c1-35(2)23-36(3,4)33(35)38-32(46)27-8-9-30(40-39-27)42-18-10-24(11-19-42)22-41-16-12-25(13-17-41)43-20-14-26-28(43)6-5-7-29(26)44-21-15-31(45)37-34(44)47/h5-9,14,20,24-25,33H,10-13,15-19,21-23H2,1-4H3,(H,38,46)(H,37,45,47).
What are the key properties of 6-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)pyridazine-3-carboxamide?
6-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)pyridazine-3-carboxamide has a molecular weight of 640.83 g/mol, XLogP of 4.99, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)pyridazine-3-carboxamide is sourced from PubChem (CID 170242536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).