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

C21H25N7O2 — CID 144737966

IUPACN-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-2-phenylacetamide
SMILESCCNC(=O)Nc1cn2nc(N3CCC(NC(=O)Cc4ccccc4)C3)ccc2n1
InChIInChI=1S/C21H25N7O2/c1-2-22-21(30)25-17-14-28-18(24-17)8-9-19(26-28)27-11-10-16(13-27)23-20(29)12-15-6-4-3-5-7-15/h3-9,14,16H,2,10-13H2,1H3,(H,23,29)(H2,22,25,30)
InChIKeyFBLFXUJYVIWRTD-UHFFFAOYSA-N
MW407.48 g/mol
LogP1.81
Rot. Bonds6

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

N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-2-phenylacetamide (PubChem CID 144737966) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-2-phenylacetamide
PubChem CID144737966
Molecular FormulaC21H25N7O2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC NameN-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-2-phenylacetamide
SMILESCCNC(=O)Nc1cn2nc(N3CCC(NC(=O)Cc4ccccc4)C3)ccc2n1
InChIInChI=1S/C21H25N7O2/c1-2-22-21(30)25-17-14-28-18(24-17)8-9-19(26-28)27-11-10-16(13-27)23-20(29)12-15-6-4-3-5-7-15/h3-9,14,16H,2,10-13H2,1H3,(H,23,29)(H2,22,25,30)
InChIKeyFBLFXUJYVIWRTD-UHFFFAOYSA-N
XLogP1.81
TPSA103.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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
1-ethyl-3-[6-[3-(4-phenylpiperidine-1-carbonyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]urea
CID 144738647
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-cyclohexyl-N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-2,3-dimethyl-5-oxopyrazole-4-carboxamide
CID 144738371
2-benzylsulfanyl-N-[(3S)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]acetamide
CID 129357972
2-(4-acetamidophenyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide
CID 99696681
2-phenoxy-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]acetamide
CID 121022857
2-(4-propan-2-ylsulfanylphenyl)-N-[(3R)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]acetamide
CID 129356833
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-2-phenylacetamide
CID 134802364

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-2-phenylacetamide?
The IUPAC name of N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-2-phenylacetamide (CID 144737966) is N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-2-phenylacetamide is CCNC(=O)Nc1cn2nc(N3CCC(NC(=O)Cc4ccccc4)C3)ccc2n1.
What is the InChIKey of N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-2-phenylacetamide?
The InChIKey is FBLFXUJYVIWRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2/c1-2-22-21(30)25-17-14-28-18(24-17)8-9-19(26-28)27-11-10-16(13-27)23-20(29)12-15-6-4-3-5-7-15/h3-9,14,16H,2,10-13H2,1H3,(H,23,29)(H2,22,25,30).
What are the key properties of N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-2-phenylacetamide?
N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-2-phenylacetamide has a molecular weight of 407.48 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-2-phenylacetamide is sourced from PubChem (CID 144737966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).