N-[2-(dimethylamino)-3-[2-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide

C41H45FN10O4 — CID 146410993

IUPACN-[2-(dimethylamino)-3-[2-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide
SMILESCN(C)c1c(OCCN2CCN(c3cccc(-c4cnc5ccc(N6CCCC6c6cccc(F)c6)nn45)n3)CC2)cccc1N(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C41H45FN10O4/c1-47(2)40-32(51(27-53)33-14-17-39(54)45-41(33)55)10-5-12-35(40)56-24-23-48-19-21-49(22-20-48)37-13-4-9-30(44-37)34-26-43-36-15-16-38(46-52(34)36)50-18-6-11-31(50)28-7-3-8-29(42)25-28/h3-5,7-10,12-13,15-16,25-27,31,33H,6,11,14,17-24H2,1-2H3,(H,45,54,55)
InChIKeyKSHYFCAUAMIYNV-UHFFFAOYSA-N
MW760.88 g/mol
LogP4.31
Rot. Bonds12

About N-[2-(dimethylamino)-3-[2-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide

N-[2-(dimethylamino)-3-[2-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide (PubChem CID 146410993) has the molecular formula C41H45FN10O4 and a molecular weight of 760.88 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-[2-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-[2-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide
PubChem CID146410993
Molecular FormulaC41H45FN10O4
Molecular Weight760.88 g/mol
Exact Mass760.36
IUPAC NameN-[2-(dimethylamino)-3-[2-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide
SMILESCN(C)c1c(OCCN2CCN(c3cccc(-c4cnc5ccc(N6CCCC6c6cccc(F)c6)nn45)n3)CC2)cccc1N(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C41H45FN10O4/c1-47(2)40-32(51(27-53)33-14-17-39(54)45-41(33)55)10-5-12-35(40)56-24-23-48-19-21-49(22-20-48)37-13-4-9-30(44-37)34-26-43-36-15-16-38(46-52(34)36)50-18-6-11-31(50)28-7-3-8-29(42)25-28/h3-5,7-10,12-13,15-16,25-27,31,33H,6,11,14,17-24H2,1-2H3,(H,45,54,55)
InChIKeyKSHYFCAUAMIYNV-UHFFFAOYSA-N
XLogP4.31
TPSA131.75 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.88
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze N-[2-(dimethylamino)-3-[2-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-[2-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide?
The IUPAC name of N-[2-(dimethylamino)-3-[2-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide (CID 146410993) is N-[2-(dimethylamino)-3-[2-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-[2-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide?
The canonical SMILES for N-[2-(dimethylamino)-3-[2-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide is CN(C)c1c(OCCN2CCN(c3cccc(-c4cnc5ccc(N6CCCC6c6cccc(F)c6)nn45)n3)CC2)cccc1N(C=O)C1CCC(=O)NC1=O.
What is the InChIKey of N-[2-(dimethylamino)-3-[2-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide?
The InChIKey is KSHYFCAUAMIYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H45FN10O4/c1-47(2)40-32(51(27-53)33-14-17-39(54)45-41(33)55)10-5-12-35(40)56-24-23-48-19-21-49(22-20-48)37-13-4-9-30(44-37)34-26-43-36-15-16-38(46-52(34)36)50-18-6-11-31(50)28-7-3-8-29(42)25-28/h3-5,7-10,12-13,15-16,25-27,31,33H,6,11,14,17-24H2,1-2H3,(H,45,54,55).
What are the key properties of N-[2-(dimethylamino)-3-[2-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide?
N-[2-(dimethylamino)-3-[2-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide has a molecular weight of 760.88 g/mol, XLogP of 4.31, 12 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-[2-[4-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]ethoxy]phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide is sourced from PubChem (CID 146410993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).