N-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-methoxypropanamide

C20H22FN5O2 — CID 77178143

IUPACN-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-methoxypropanamide
SMILESCOCCC(=O)Nc1cnc2ccc(N3CCCC3c3cccc(F)c3)nn12
InChIInChI=1S/C20H22FN5O2/c1-28-11-9-20(27)23-19-13-22-17-7-8-18(24-26(17)19)25-10-3-6-16(25)14-4-2-5-15(21)12-14/h2,4-5,7-8,12-13,16H,3,6,9-11H2,1H3,(H,23,27)
InChIKeyDWGSRLKWTHZONH-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.18
Rot. Bonds6

About N-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-methoxypropanamide

N-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-methoxypropanamide (PubChem CID 77178143) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is N-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-methoxypropanamide
PubChem CID77178143
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC NameN-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-methoxypropanamide
SMILESCOCCC(=O)Nc1cnc2ccc(N3CCCC3c3cccc(F)c3)nn12
InChIInChI=1S/C20H22FN5O2/c1-28-11-9-20(27)23-19-13-22-17-7-8-18(24-26(17)19)25-10-3-6-16(25)14-4-2-5-15(21)12-14/h2,4-5,7-8,12-13,16H,3,6,9-11H2,1H3,(H,23,27)
InChIKeyDWGSRLKWTHZONH-UHFFFAOYSA-N
XLogP3.18
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Tizaterkib
CID 129116690
(S)-N-(6-((R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl)imidazo[1,2-b]pyridazin-3-yl)-3-hydroxypyrrolidine-1-carboxamide
CID 45274003
Pyrazolo[1,5-a]pyrimidine derivative 25
CID 58386283
Pyrrolidinyl urea derivative 13
CID 71471488
2-amino-6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155533695
2-amino-6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155550913
1-(2-Oxo-2-pyrrolidin-1-ylethyl)-3-[6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
CID 46871579
N-[3-[6-[(4-aminocyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide
CID 53354757
N-[3-[6-[(1-methyl-4-piperidyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]cyclopropanecarboxamide
CID 53358639
methyl N-[3-[6-[(1-methyl-4-piperidyl)amino]imidazo[1,2-b]pyridazin-3-yl]phenyl]carbamate
CID 53358644
2-fluoro-4-[6-(4-fluorobutylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]benzamide
CID 56659740
2-fluoro-4-[6-(5-fluoropentylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]benzamide
CID 56673592

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-methoxypropanamide?
The IUPAC name of N-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-methoxypropanamide (CID 77178143) is N-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-methoxypropanamide.
What is the SMILES notation for N-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-methoxypropanamide?
The canonical SMILES for N-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-methoxypropanamide is COCCC(=O)Nc1cnc2ccc(N3CCCC3c3cccc(F)c3)nn12.
What is the InChIKey of N-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-methoxypropanamide?
The InChIKey is DWGSRLKWTHZONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c1-28-11-9-20(27)23-19-13-22-17-7-8-18(24-26(17)19)25-10-3-6-16(25)14-4-2-5-15(21)12-14/h2,4-5,7-8,12-13,16H,3,6,9-11H2,1H3,(H,23,27).
What are the key properties of N-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-methoxypropanamide?
N-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-methoxypropanamide has a molecular weight of 383.43 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-3-methoxypropanamide is sourced from PubChem (CID 77178143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).