6-(2-aminoethylamino)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide

C14H16F2N8O — CID 162666349

IUPAC6-(2-aminoethylamino)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnc3ccc(NCCN)nn23)c(C(F)F)n1
InChIInChI=1S/C14H16F2N8O/c1-23-7-8(12(22-23)13(15)16)20-14(25)9-6-19-11-3-2-10(18-5-4-17)21-24(9)11/h2-3,6-7,13H,4-5,17H2,1H3,(H,18,21)(H,20,25)
InChIKeyGTHXQSZWUJSNAK-UHFFFAOYSA-N
MW350.33 g/mol
LogP1.02
Rot. Bonds6

About 6-(2-aminoethylamino)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide

6-(2-aminoethylamino)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 162666349) has the molecular formula C14H16F2N8O and a molecular weight of 350.33 g/mol. Its IUPAC name is 6-(2-aminoethylamino)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-aminoethylamino)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID162666349
Molecular FormulaC14H16F2N8O
Molecular Weight350.33 g/mol
Exact Mass350.14
IUPAC Name6-(2-aminoethylamino)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnc3ccc(NCCN)nn23)c(C(F)F)n1
InChIInChI=1S/C14H16F2N8O/c1-23-7-8(12(22-23)13(15)16)20-14(25)9-6-19-11-3-2-10(18-5-4-17)21-24(9)11/h2-3,6-7,13H,4-5,17H2,1H3,(H,18,21)(H,20,25)
InChIKeyGTHXQSZWUJSNAK-UHFFFAOYSA-N
XLogP1.02
TPSA115.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-{[(1r,2s)-2-Aminocyclohexyl]amino}-N-[1-Methyl-3-(Trifluoromethyl)-1h-Pyrazol-4-Yl]pyrazolo[1,5-A]pyrimidine-3-Carboxamide
CID 122181630
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181640
US10155765, Example 31
CID 121493987
N-(4-(4-(2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-6-chloroimidazo[1,2-b]pyridazine-2-carboxamide
CID 73671218
5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181631
5-[[(1R,2S)-2-amino-4,4-difluorocyclohexyl]amino]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181643
5-[(5R)-5-amino-3,3-difluoropiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181645
(R)-5-(5-Amino-3,3-difluoropiperidin-1-yl)-N-(3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181674
5-[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181675
5-[(3S,4S)-3-amino-4-fluoropiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181676
N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122196169
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122196173

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethylamino)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-(2-aminoethylamino)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 162666349) is 6-(2-aminoethylamino)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-aminoethylamino)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-(2-aminoethylamino)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is Cn1cc(NC(=O)c2cnc3ccc(NCCN)nn23)c(C(F)F)n1.
What is the InChIKey of 6-(2-aminoethylamino)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is GTHXQSZWUJSNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N8O/c1-23-7-8(12(22-23)13(15)16)20-14(25)9-6-19-11-3-2-10(18-5-4-17)21-24(9)11/h2-3,6-7,13H,4-5,17H2,1H3,(H,18,21)(H,20,25).
What are the key properties of 6-(2-aminoethylamino)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
6-(2-aminoethylamino)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 350.33 g/mol, XLogP of 1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethylamino)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 162666349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).