3-(3-fluoro-3-methylcyclobutyl)-N-[[2-(methylaminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]prop-1-en-2-amine

C17H24FN5 — CID 157031026

IUPAC3-(3-fluoro-3-methylcyclobutyl)-N-[[2-(methylaminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]prop-1-en-2-amine
SMILESC=C(CC1CC(C)(F)C1)NCc1cnn2cc(CNC)nc2c1
InChIInChI=1S/C17H24FN5/c1-12(4-13-6-17(2,18)7-13)20-8-14-5-16-22-15(10-19-3)11-23(16)21-9-14/h5,9,11,13,19-20H,1,4,6-8,10H2,2-3H3
InChIKeyHIPYGKHFADHGFH-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.58
Rot. Bonds7

About 3-(3-fluoro-3-methylcyclobutyl)-N-[[2-(methylaminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]prop-1-en-2-amine

3-(3-fluoro-3-methylcyclobutyl)-N-[[2-(methylaminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]prop-1-en-2-amine (PubChem CID 157031026) has the molecular formula C17H24FN5 and a molecular weight of 317.41 g/mol. Its IUPAC name is 3-(3-fluoro-3-methylcyclobutyl)-N-[[2-(methylaminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]prop-1-en-2-amine.

Molecular Properties

Compound Name3-(3-fluoro-3-methylcyclobutyl)-N-[[2-(methylaminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]prop-1-en-2-amine
PubChem CID157031026
Molecular FormulaC17H24FN5
Molecular Weight317.41 g/mol
Exact Mass317.20
IUPAC Name3-(3-fluoro-3-methylcyclobutyl)-N-[[2-(methylaminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]prop-1-en-2-amine
SMILESC=C(CC1CC(C)(F)C1)NCc1cnn2cc(CNC)nc2c1
InChIInChI=1S/C17H24FN5/c1-12(4-13-6-17(2,18)7-13)20-8-14-5-16-22-15(10-19-3)11-23(16)21-9-14/h5,9,11,13,19-20H,1,4,6-8,10H2,2-3H3
InChIKeyHIPYGKHFADHGFH-UHFFFAOYSA-N
XLogP2.58
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]acetamide;cyclopropane;1,1-difluorocyclohexane;ethane
CID 157031210
N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;1,1-difluorocyclohexane;1,1-difluoroethane
CID 157030786
4-amino-N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2,5-oxadiazole-3-carboxamide
CID 166825252
N-[[7-[[[2-(2,2-difluorocyclopropyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 166825758
acetonitrile;tert-butyl N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate;1,1-difluorocyclohexane
CID 157030821
N-[[7-[[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-morpholin-4-yl-1,2,5-oxadiazole-3-carboxamide
CID 166825657
N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;1,1-difluorocyclohexane
CID 157031379
N-[[7-[(3-cyclopropylpropanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 166825449
4-fluoro-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]benzamide
CID 157030931
4-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 157030510
N-[1-[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]-2-cyanoethyl]-2-(3,3-difluorocyclobutyl)acetamide
CID 166825486
cyclopropane;N-[[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;4-methoxy-N-methyl-1,2-oxazole-3-carboxamide
CID 157030557

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-3-methylcyclobutyl)-N-[[2-(methylaminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]prop-1-en-2-amine?
The IUPAC name of 3-(3-fluoro-3-methylcyclobutyl)-N-[[2-(methylaminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]prop-1-en-2-amine (CID 157031026) is 3-(3-fluoro-3-methylcyclobutyl)-N-[[2-(methylaminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]prop-1-en-2-amine.
What is the SMILES notation for 3-(3-fluoro-3-methylcyclobutyl)-N-[[2-(methylaminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]prop-1-en-2-amine?
The canonical SMILES for 3-(3-fluoro-3-methylcyclobutyl)-N-[[2-(methylaminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]prop-1-en-2-amine is C=C(CC1CC(C)(F)C1)NCc1cnn2cc(CNC)nc2c1.
What is the InChIKey of 3-(3-fluoro-3-methylcyclobutyl)-N-[[2-(methylaminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]prop-1-en-2-amine?
The InChIKey is HIPYGKHFADHGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN5/c1-12(4-13-6-17(2,18)7-13)20-8-14-5-16-22-15(10-19-3)11-23(16)21-9-14/h5,9,11,13,19-20H,1,4,6-8,10H2,2-3H3.
What are the key properties of 3-(3-fluoro-3-methylcyclobutyl)-N-[[2-(methylaminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]prop-1-en-2-amine?
3-(3-fluoro-3-methylcyclobutyl)-N-[[2-(methylaminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]prop-1-en-2-amine has a molecular weight of 317.41 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-3-methylcyclobutyl)-N-[[2-(methylaminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]prop-1-en-2-amine is sourced from PubChem (CID 157031026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).