5-(3-methylimidazo[1,2-b]pyridazin-6-yl)-N-[4-(trifluoromethoxy)cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C20H20F3N7O — CID 168772359

IUPAC5-(3-methylimidazo[1,2-b]pyridazin-6-yl)-N-[4-(trifluoromethoxy)cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1cnc2ccc(-c3c[nH]c4nc(NC5CCC(OC(F)(F)F)CC5)ncc34)nn12
InChIInChI=1S/C20H20F3N7O/c1-11-8-24-17-7-6-16(29-30(11)17)14-9-25-18-15(14)10-26-19(28-18)27-12-2-4-13(5-3-12)31-20(21,22)23/h6-10,12-13H,2-5H2,1H3,(H2,25,26,27,28)
InChIKeyVLHDGIRENZVGGR-UHFFFAOYSA-N
MW431.42 g/mol
LogP4.24
Rot. Bonds4

About 5-(3-methylimidazo[1,2-b]pyridazin-6-yl)-N-[4-(trifluoromethoxy)cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine

5-(3-methylimidazo[1,2-b]pyridazin-6-yl)-N-[4-(trifluoromethoxy)cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 168772359) has the molecular formula C20H20F3N7O and a molecular weight of 431.42 g/mol. Its IUPAC name is 5-(3-methylimidazo[1,2-b]pyridazin-6-yl)-N-[4-(trifluoromethoxy)cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(3-methylimidazo[1,2-b]pyridazin-6-yl)-N-[4-(trifluoromethoxy)cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID168772359
Molecular FormulaC20H20F3N7O
Molecular Weight431.42 g/mol
Exact Mass431.17
IUPAC Name5-(3-methylimidazo[1,2-b]pyridazin-6-yl)-N-[4-(trifluoromethoxy)cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1cnc2ccc(-c3c[nH]c4nc(NC5CCC(OC(F)(F)F)CC5)ncc34)nn12
InChIInChI=1S/C20H20F3N7O/c1-11-8-24-17-7-6-16(29-30(11)17)14-9-25-18-15(14)10-26-19(28-18)27-12-2-4-13(5-3-12)31-20(21,22)23/h6-10,12-13H,2-5H2,1H3,(H2,25,26,27,28)
InChIKeyVLHDGIRENZVGGR-UHFFFAOYSA-N
XLogP4.24
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,2-difluoroethyl)-6-[2-[[4-(trifluoromethoxy)cyclohexyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 168773207
4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-N-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 175879620
5-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-propan-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168772247
5-(3-chloroimidazo[1,2-b]pyridazin-6-yl)-N-[(1-fluorocyclopropyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773475
N-(4,4-difluorocyclohexyl)-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 168773223
3-chloro-6-[2-(cyclobutylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]imidazo[1,2-b]pyridazine
CID 168773462
1-[4-[[5-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one
CID 168773763
N-cyclopentyl-4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 139335846
1-[2-[(5-imidazo[1,2-b]pyridazin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-7-azaspiro[3.5]nonan-7-yl]ethanone
CID 168773684
6-[2-[(4-methoxycyclohexyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-4,4-dimethyl-2,3-dihydroisoquinolin-1-one
CID 168772886
N,N-dimethyl-4-[[5-([1,2,4]triazolo[4,3-a]pyridin-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide
CID 168773855
N-(3-methylcyclobutyl)-5-pyrazolo[1,5-a]pyrimidin-5-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 175893243

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylimidazo[1,2-b]pyridazin-6-yl)-N-[4-(trifluoromethoxy)cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 5-(3-methylimidazo[1,2-b]pyridazin-6-yl)-N-[4-(trifluoromethoxy)cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 168772359) is 5-(3-methylimidazo[1,2-b]pyridazin-6-yl)-N-[4-(trifluoromethoxy)cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 5-(3-methylimidazo[1,2-b]pyridazin-6-yl)-N-[4-(trifluoromethoxy)cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 5-(3-methylimidazo[1,2-b]pyridazin-6-yl)-N-[4-(trifluoromethoxy)cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is Cc1cnc2ccc(-c3c[nH]c4nc(NC5CCC(OC(F)(F)F)CC5)ncc34)nn12.
What is the InChIKey of 5-(3-methylimidazo[1,2-b]pyridazin-6-yl)-N-[4-(trifluoromethoxy)cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is VLHDGIRENZVGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N7O/c1-11-8-24-17-7-6-16(29-30(11)17)14-9-25-18-15(14)10-26-19(28-18)27-12-2-4-13(5-3-12)31-20(21,22)23/h6-10,12-13H,2-5H2,1H3,(H2,25,26,27,28).
What are the key properties of 5-(3-methylimidazo[1,2-b]pyridazin-6-yl)-N-[4-(trifluoromethoxy)cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
5-(3-methylimidazo[1,2-b]pyridazin-6-yl)-N-[4-(trifluoromethoxy)cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 431.42 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylimidazo[1,2-b]pyridazin-6-yl)-N-[4-(trifluoromethoxy)cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 168772359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).