N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]-3-cyclopropyl-1,2-oxazole-4-carboxamide;cyclopropane;1,1-difluorocyclohexane

C24H32F2N6O2 — CID 157030956

IUPACN-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]-3-cyclopropyl-1,2-oxazole-4-carboxamide;cyclopropane;1,1-difluorocyclohexane
SMILESC1CC1.FC1(F)CCCCC1.NCc1cnn2cc(CNC(=O)c3conc3C3CC3)nc2c1
InChIInChI=1S/C15H16N6O2.C6H10F2.C3H6/c16-4-9-3-13-19-11(7-21(13)18-5-9)6-17-15(22)12-8-23-20-14(12)10-1-2-10;7-6(8)4-2-1-3-5-6;1-2-3-1/h3,5,7-8,10H,1-2,4,6,16H2,(H,17,22);1-5H2;1-3H2
InChIKeyGERGXQZPDIDBQO-UHFFFAOYSA-N
MW474.56 g/mol
LogP4.74
Rot. Bonds5

About N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]-3-cyclopropyl-1,2-oxazole-4-carboxamide;cyclopropane;1,1-difluorocyclohexane

N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]-3-cyclopropyl-1,2-oxazole-4-carboxamide;cyclopropane;1,1-difluorocyclohexane (PubChem CID 157030956) has the molecular formula C24H32F2N6O2 and a molecular weight of 474.56 g/mol. Its IUPAC name is N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]-3-cyclopropyl-1,2-oxazole-4-carboxamide;cyclopropane;1,1-difluorocyclohexane.

Molecular Properties

Compound NameN-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]-3-cyclopropyl-1,2-oxazole-4-carboxamide;cyclopropane;1,1-difluorocyclohexane
PubChem CID157030956
Molecular FormulaC24H32F2N6O2
Molecular Weight474.56 g/mol
Exact Mass474.26
IUPAC NameN-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]-3-cyclopropyl-1,2-oxazole-4-carboxamide;cyclopropane;1,1-difluorocyclohexane
SMILESC1CC1.FC1(F)CCCCC1.NCc1cnn2cc(CNC(=O)c3conc3C3CC3)nc2c1
InChIInChI=1S/C15H16N6O2.C6H10F2.C3H6/c16-4-9-3-13-19-11(7-21(13)18-5-9)6-17-15(22)12-8-23-20-14(12)10-1-2-10;7-6(8)4-2-1-3-5-6;1-2-3-1/h3,5,7-8,10H,1-2,4,6,16H2,(H,17,22);1-5H2;1-3H2
InChIKeyGERGXQZPDIDBQO-UHFFFAOYSA-N
XLogP4.74
TPSA111.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-cyclobutyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-4-carboxamide
CID 157031844
tert-butyl N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]carbamate;1,1-difluorocyclohexane;fluoroform
CID 157031608
N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-4,4,4-trifluorobutanamide;1,1-difluorocyclohexane
CID 157031379
N-[[2-(aminomethyl)imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide;1,1-difluorocyclohexane;1,1-difluoroethane
CID 157030786
N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-3-(3,3,3-trifluoropropyl)-1,2-oxazole-4-carboxamide
CID 166825261
3-ethyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-4-carboxamide
CID 157031940
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
3-cyclobutyl-N-[(S)-[7-[(R)-cyclopropyl-(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-1,2-oxazole-4-carboxamide
CID 166500001
3-cyclopropyl-N-[(S)-[7-[(R)-cyclopropyl-[(4,4,4-trifluoro-3-methylbutanoyl)amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-1,2-oxazole-4-carboxamide
CID 166500361
3-cyclopropyl-N-[(S)-[7-[cyclopropyl-[[(3S)-4,4,4-trifluoro-3-methylbutanoyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-1,2-oxazole-4-carboxamide
CID 167245353
3-cyclopropyl-N-[(S)-(4,4-difluorocyclohexyl)-[7-[(R)-hydroxy-[(4,4,4-trifluoro-3-methylbutanoyl)amino]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-1,2-oxazole-4-carboxamide
CID 157031234
cyclopropane;1,1-difluorocyclohexane;1-methyl-N-[[7-[(4,4,4-trifluorobutanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]imidazole-2-carboxamide
CID 157031441

Frequently Asked Questions

What is the IUPAC name of N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]-3-cyclopropyl-1,2-oxazole-4-carboxamide;cyclopropane;1,1-difluorocyclohexane?
The IUPAC name of N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]-3-cyclopropyl-1,2-oxazole-4-carboxamide;cyclopropane;1,1-difluorocyclohexane (CID 157030956) is N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]-3-cyclopropyl-1,2-oxazole-4-carboxamide;cyclopropane;1,1-difluorocyclohexane.
What is the SMILES notation for N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]-3-cyclopropyl-1,2-oxazole-4-carboxamide;cyclopropane;1,1-difluorocyclohexane?
The canonical SMILES for N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]-3-cyclopropyl-1,2-oxazole-4-carboxamide;cyclopropane;1,1-difluorocyclohexane is C1CC1.FC1(F)CCCCC1.NCc1cnn2cc(CNC(=O)c3conc3C3CC3)nc2c1.
What is the InChIKey of N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]-3-cyclopropyl-1,2-oxazole-4-carboxamide;cyclopropane;1,1-difluorocyclohexane?
The InChIKey is GERGXQZPDIDBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2.C6H10F2.C3H6/c16-4-9-3-13-19-11(7-21(13)18-5-9)6-17-15(22)12-8-23-20-14(12)10-1-2-10;7-6(8)4-2-1-3-5-6;1-2-3-1/h3,5,7-8,10H,1-2,4,6,16H2,(H,17,22);1-5H2;1-3H2.
What are the key properties of N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]-3-cyclopropyl-1,2-oxazole-4-carboxamide;cyclopropane;1,1-difluorocyclohexane?
N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]-3-cyclopropyl-1,2-oxazole-4-carboxamide;cyclopropane;1,1-difluorocyclohexane has a molecular weight of 474.56 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]-3-cyclopropyl-1,2-oxazole-4-carboxamide;cyclopropane;1,1-difluorocyclohexane is sourced from PubChem (CID 157030956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).