1-ethyl-3-[6-[3-(4-phenylpiperidine-1-carbonyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]urea

C25H31N7O2 — CID 144738647

IUPAC1-ethyl-3-[6-[3-(4-phenylpiperidine-1-carbonyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]urea
SMILESCCNC(=O)Nc1cn2nc(N3CCC(C(=O)N4CCC(c5ccccc5)CC4)C3)ccc2n1
InChIInChI=1S/C25H31N7O2/c1-2-26-25(34)28-21-17-32-22(27-21)8-9-23(29-32)31-15-12-20(16-31)24(33)30-13-10-19(11-14-30)18-6-4-3-5-7-18/h3-9,17,19-20H,2,10-16H2,1H3,(H2,26,28,34)
InChIKeyHZFPYUVPIVHLME-UHFFFAOYSA-N
MW461.57 g/mol
LogP3.10
Rot. Bonds5

About 1-ethyl-3-[6-[3-(4-phenylpiperidine-1-carbonyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]urea

1-ethyl-3-[6-[3-(4-phenylpiperidine-1-carbonyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]urea (PubChem CID 144738647) has the molecular formula C25H31N7O2 and a molecular weight of 461.57 g/mol. Its IUPAC name is 1-ethyl-3-[6-[3-(4-phenylpiperidine-1-carbonyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[6-[3-(4-phenylpiperidine-1-carbonyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]urea
PubChem CID144738647
Molecular FormulaC25H31N7O2
Molecular Weight461.57 g/mol
Exact Mass461.25
IUPAC Name1-ethyl-3-[6-[3-(4-phenylpiperidine-1-carbonyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]urea
SMILESCCNC(=O)Nc1cn2nc(N3CCC(C(=O)N4CCC(c5ccccc5)CC4)C3)ccc2n1
InChIInChI=1S/C25H31N7O2/c1-2-26-25(34)28-21-17-32-22(27-21)8-9-23(29-32)31-15-12-20(16-31)24(33)30-13-10-19(11-14-30)18-6-4-3-5-7-18/h3-9,17,19-20H,2,10-16H2,1H3,(H2,26,28,34)
InChIKeyHZFPYUVPIVHLME-UHFFFAOYSA-N
XLogP3.10
TPSA94.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-2-phenylacetamide
CID 144737966
N-[(3S)-1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-6-phenylpyridine-2-carboxamide
CID 144738606
N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazole-4-carboxamide
CID 144737895
N-[(3S)-1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-5,6-dimethyl-2-oxo-1-phenylpyridine-3-carboxamide
CID 144738134
N-[(3S)-1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-3-methyl-5-oxo-1-phenyl-2-prop-2-enylpyrazole-4-carboxamide
CID 144738320
N-[(3S)-1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-(2-hydroxybutyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 144738295
(1-methylpiperidin-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 91806523
N-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)-4-propylbenzamide
CID 59175296
1-(5-chloro-6-methyl-2-pyridinyl)-N-ethylpyrrolidine-3-carboxamide
CID 134711282
(4-benzyl-1,4-diazepan-1-yl)-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methanone
CID 30828730
2,2-diethyl-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 13249816
N-ethyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111722745

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[6-[3-(4-phenylpiperidine-1-carbonyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]urea?
The IUPAC name of 1-ethyl-3-[6-[3-(4-phenylpiperidine-1-carbonyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]urea (CID 144738647) is 1-ethyl-3-[6-[3-(4-phenylpiperidine-1-carbonyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[6-[3-(4-phenylpiperidine-1-carbonyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[6-[3-(4-phenylpiperidine-1-carbonyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]urea is CCNC(=O)Nc1cn2nc(N3CCC(C(=O)N4CCC(c5ccccc5)CC4)C3)ccc2n1.
What is the InChIKey of 1-ethyl-3-[6-[3-(4-phenylpiperidine-1-carbonyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]urea?
The InChIKey is HZFPYUVPIVHLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O2/c1-2-26-25(34)28-21-17-32-22(27-21)8-9-23(29-32)31-15-12-20(16-31)24(33)30-13-10-19(11-14-30)18-6-4-3-5-7-18/h3-9,17,19-20H,2,10-16H2,1H3,(H2,26,28,34).
What are the key properties of 1-ethyl-3-[6-[3-(4-phenylpiperidine-1-carbonyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]urea?
1-ethyl-3-[6-[3-(4-phenylpiperidine-1-carbonyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]urea has a molecular weight of 461.57 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[6-[3-(4-phenylpiperidine-1-carbonyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]urea is sourced from PubChem (CID 144738647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).