N-[(7-chloro-6-methylimidazo[1,2-b]pyridazin-2-yl)-(4,4-difluorocyclohexyl)methyl]-2-ethylpyrazole-3-carboxamide

C20H23ClF2N6O — CID 170598447

IUPACN-[(7-chloro-6-methylimidazo[1,2-b]pyridazin-2-yl)-(4,4-difluorocyclohexyl)methyl]-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)NC(c1cn2nc(C)c(Cl)cc2n1)C1CCC(F)(F)CC1
InChIInChI=1S/C20H23ClF2N6O/c1-3-28-16(6-9-24-28)19(30)26-18(13-4-7-20(22,23)8-5-13)15-11-29-17(25-15)10-14(21)12(2)27-29/h6,9-11,13,18H,3-5,7-8H2,1-2H3,(H,26,30)
InChIKeyIKRJLWNZIIDNIN-UHFFFAOYSA-N
MW436.89 g/mol
LogP4.20
Rot. Bonds5

About N-[(7-chloro-6-methylimidazo[1,2-b]pyridazin-2-yl)-(4,4-difluorocyclohexyl)methyl]-2-ethylpyrazole-3-carboxamide

N-[(7-chloro-6-methylimidazo[1,2-b]pyridazin-2-yl)-(4,4-difluorocyclohexyl)methyl]-2-ethylpyrazole-3-carboxamide (PubChem CID 170598447) has the molecular formula C20H23ClF2N6O and a molecular weight of 436.89 g/mol. Its IUPAC name is N-[(7-chloro-6-methylimidazo[1,2-b]pyridazin-2-yl)-(4,4-difluorocyclohexyl)methyl]-2-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(7-chloro-6-methylimidazo[1,2-b]pyridazin-2-yl)-(4,4-difluorocyclohexyl)methyl]-2-ethylpyrazole-3-carboxamide
PubChem CID170598447
Molecular FormulaC20H23ClF2N6O
Molecular Weight436.89 g/mol
Exact Mass436.16
IUPAC NameN-[(7-chloro-6-methylimidazo[1,2-b]pyridazin-2-yl)-(4,4-difluorocyclohexyl)methyl]-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)NC(c1cn2nc(C)c(Cl)cc2n1)C1CCC(F)(F)CC1
InChIInChI=1S/C20H23ClF2N6O/c1-3-28-16(6-9-24-28)19(30)26-18(13-4-7-20(22,23)8-5-13)15-11-29-17(25-15)10-14(21)12(2)27-29/h6,9-11,13,18H,3-5,7-8H2,1-2H3,(H,26,30)
InChIKeyIKRJLWNZIIDNIN-UHFFFAOYSA-N
XLogP4.20
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.89
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(S)-[7-chloro-6-[[(5R)-5-methyl-2-oxopiperidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-2-ethylpyrazole-3-carboxamide
CID 178065111
[2-[(S)-(4,4-difluorocyclohexyl)-[(2-ethylpyrazole-3-carbonyl)amino]methyl]-6-[(5,5-difluoro-2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-7-yl]carbamic acid
CID 170339845
N-[(4,4-difluorocyclohexyl)-[7-(1-hydroxyethyl)-6-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide
CID 170598855
N-[(4,4-difluorocyclohexyl)-[7-(methoxymethyl)-6-[(2-oxopiperidin-3-yl)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide
CID 170598534
N-[(4,4-difluorocyclohexyl)-[6-[[(5R)-2-oxo-5-(trifluoromethyl)piperidin-3-yl]methyl]-7-propan-2-yloxyimidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide
CID 170339879
N-[(4,4-difluorocyclohexyl)-[7-(1-hydroxyethyl)-6-[[(5R)-2-oxo-5-(trifluoromethyl)piperidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide
CID 170339599
N-[(S)-(4,4-difluorocyclohexyl)-[7-[methyl(oxan-4-yl)amino]-6-[[(5R)-2-oxo-5-(trifluoromethyl)piperidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide
CID 170339826
N-[(S)-(4,4-difluorocyclohexyl)-[7-(morpholin-4-ylmethyl)-6-[[(3R,5R)-2-oxo-5-(trifluoromethyl)piperidin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-2-ethylpyrazole-3-carboxamide
CID 178065115
[(S)-(4,4-difluorocyclohexyl)-[7-(dimethylamino)-6-(hydroxymethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]carbamic acid
CID 170340155
3-[[2-[(S)-[(2-ethylpyrazole-3-carbonyl)amino]-(4-methylcyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxylic acid
CID 170340243
methyl 3-[[2-[(S)-[(2-ethylpyrazole-3-carbonyl)amino]-(4-methylcyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-5,5-difluoro-2-oxopiperidine-3-carboxylate
CID 170340127
(3S,5S)-3-[[2-[(S)-cycloheptyl-[(2-ethylpyrazole-3-carbonyl)amino]methyl]imidazo[1,2-b]pyridazin-6-yl]methyl]-2-oxo-5-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 170340106

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-6-methylimidazo[1,2-b]pyridazin-2-yl)-(4,4-difluorocyclohexyl)methyl]-2-ethylpyrazole-3-carboxamide?
The IUPAC name of N-[(7-chloro-6-methylimidazo[1,2-b]pyridazin-2-yl)-(4,4-difluorocyclohexyl)methyl]-2-ethylpyrazole-3-carboxamide (CID 170598447) is N-[(7-chloro-6-methylimidazo[1,2-b]pyridazin-2-yl)-(4,4-difluorocyclohexyl)methyl]-2-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(7-chloro-6-methylimidazo[1,2-b]pyridazin-2-yl)-(4,4-difluorocyclohexyl)methyl]-2-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(7-chloro-6-methylimidazo[1,2-b]pyridazin-2-yl)-(4,4-difluorocyclohexyl)methyl]-2-ethylpyrazole-3-carboxamide is CCn1nccc1C(=O)NC(c1cn2nc(C)c(Cl)cc2n1)C1CCC(F)(F)CC1.
What is the InChIKey of N-[(7-chloro-6-methylimidazo[1,2-b]pyridazin-2-yl)-(4,4-difluorocyclohexyl)methyl]-2-ethylpyrazole-3-carboxamide?
The InChIKey is IKRJLWNZIIDNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClF2N6O/c1-3-28-16(6-9-24-28)19(30)26-18(13-4-7-20(22,23)8-5-13)15-11-29-17(25-15)10-14(21)12(2)27-29/h6,9-11,13,18H,3-5,7-8H2,1-2H3,(H,26,30).
What are the key properties of N-[(7-chloro-6-methylimidazo[1,2-b]pyridazin-2-yl)-(4,4-difluorocyclohexyl)methyl]-2-ethylpyrazole-3-carboxamide?
N-[(7-chloro-6-methylimidazo[1,2-b]pyridazin-2-yl)-(4,4-difluorocyclohexyl)methyl]-2-ethylpyrazole-3-carboxamide has a molecular weight of 436.89 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-6-methylimidazo[1,2-b]pyridazin-2-yl)-(4,4-difluorocyclohexyl)methyl]-2-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 170598447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).