N-[4-[3-amino-5-methyl-4-(2-methylsulfonylethoxy)cyclohexyl]-3-pyridinyl]-2-[2,6-difluoro-4-(3-fluorooxetan-3-yl)phenyl]imidazo[1,5-b]pyridazin-7-amine

C30H33F3N6O4S — CID 123766275

IUPACN-[4-[3-amino-5-methyl-4-(2-methylsulfonylethoxy)cyclohexyl]-3-pyridinyl]-2-[2,6-difluoro-4-(3-fluorooxetan-3-yl)phenyl]imidazo[1,5-b]pyridazin-7-amine
SMILESCC1CC(c2ccncc2Nc2ncc3ccc(-c4c(F)cc(C5(F)COC5)cc4F)nn23)CC(N)C1OCCS(C)(=O)=O
InChIInChI=1S/C30H33F3N6O4S/c1-17-9-18(10-24(34)28(17)43-7-8-44(2,40)41)21-5-6-35-14-26(21)37-29-36-13-20-3-4-25(38-39(20)29)27-22(31)11-19(12-23(27)32)30(33)15-42-16-30/h3-6,11-14,17-18,24,28H,7-10,15-16,34H2,1-2H3,(H,36,37)
InChIKeyCFNSHBRVGSFDEA-UHFFFAOYSA-N
MW630.69 g/mol
LogP4.28
Rot. Bonds9

About N-[4-[3-amino-5-methyl-4-(2-methylsulfonylethoxy)cyclohexyl]-3-pyridinyl]-2-[2,6-difluoro-4-(3-fluorooxetan-3-yl)phenyl]imidazo[1,5-b]pyridazin-7-amine

N-[4-[3-amino-5-methyl-4-(2-methylsulfonylethoxy)cyclohexyl]-3-pyridinyl]-2-[2,6-difluoro-4-(3-fluorooxetan-3-yl)phenyl]imidazo[1,5-b]pyridazin-7-amine (PubChem CID 123766275) has the molecular formula C30H33F3N6O4S and a molecular weight of 630.69 g/mol. Its IUPAC name is N-[4-[3-amino-5-methyl-4-(2-methylsulfonylethoxy)cyclohexyl]-3-pyridinyl]-2-[2,6-difluoro-4-(3-fluorooxetan-3-yl)phenyl]imidazo[1,5-b]pyridazin-7-amine.

Molecular Properties

Compound NameN-[4-[3-amino-5-methyl-4-(2-methylsulfonylethoxy)cyclohexyl]-3-pyridinyl]-2-[2,6-difluoro-4-(3-fluorooxetan-3-yl)phenyl]imidazo[1,5-b]pyridazin-7-amine
PubChem CID123766275
Molecular FormulaC30H33F3N6O4S
Molecular Weight630.69 g/mol
Exact Mass630.22
IUPAC NameN-[4-[3-amino-5-methyl-4-(2-methylsulfonylethoxy)cyclohexyl]-3-pyridinyl]-2-[2,6-difluoro-4-(3-fluorooxetan-3-yl)phenyl]imidazo[1,5-b]pyridazin-7-amine
SMILESCC1CC(c2ccncc2Nc2ncc3ccc(-c4c(F)cc(C5(F)COC5)cc4F)nn23)CC(N)C1OCCS(C)(=O)=O
InChIInChI=1S/C30H33F3N6O4S/c1-17-9-18(10-24(34)28(17)43-7-8-44(2,40)41)21-5-6-35-14-26(21)37-29-36-13-20-3-4-25(38-39(20)29)27-22(31)11-19(12-23(27)32)30(33)15-42-16-30/h3-6,11-14,17-18,24,28H,7-10,15-16,34H2,1-2H3,(H,36,37)
InChIKeyCFNSHBRVGSFDEA-UHFFFAOYSA-N
XLogP4.28
TPSA133.73 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500630.69
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[4-[3-amino-5-methyl-4-(2-methylsulfonylethoxy)cyclohexyl]-3-pyridinyl]-2-[2,6-difluoro-4-(3-fluorooxetan-3-yl)phenyl]imidazo[1,5-b]pyridazin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[3-amino-5-methyl-4-(2-methylsulfonylethoxy)cyclohexyl]-3-pyridinyl]-2-(2,6-difluoro-4-methylphenyl)imidazo[1,5-b]pyridazin-7-amine
CID 123755248
1-[[4-[7-[[4-[(1R,3R,4S,5S)-3-amino-5-methyl-4-(2-methylsulfonylethoxy)cyclohexyl]-3-pyridinyl]amino]imidazo[1,5-b]pyridazin-2-yl]-3,5-difluorophenyl]methyl]pyrrolidin-2-one
CID 90251855
N-[4-(3-amino-4-methoxy-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluoro-4-methylsulfonylphenyl)imidazo[1,5-b]pyridazin-7-amine
CID 123861989
3-[2-amino-4-[3-[[2-[2,6-difluoro-4-(1-hydroxycyclopentyl)phenyl]imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]-6-methylcyclohexyl]oxypropanenitrile
CID 123987997
N-[4-[(3R,4S,5S)-3-amino-5-methyl-4-(2-methylsulfonylethoxy)piperidin-1-yl]-3-pyridinyl]-2-[2,6-difluoro-4-(3-methoxyoxetan-3-yl)phenyl]imidazo[1,5-b]pyridazin-7-amine
CID 90252147
4-[4-[7-[[4-[(1R,3R,4R,5S)-3-amino-5-methyl-4-methylsulfonylcyclohexyl]-3-pyridinyl]amino]imidazo[1,5-b]pyridazin-2-yl]-3,5-difluorophenyl]oxan-4-ol
CID 90252589
N-[4-[(1R,3R,4S,5S)-3-amino-5-methyl-4-methylsulfonylcyclohexyl]-3-pyridinyl]-2-(2,6-difluoro-4-methylphenyl)imidazo[1,5-b]pyridazin-7-amine
CID 90252598
4-[4-[7-[[4-[(1R,3R,4S,5S)-3-amino-4-methoxy-5-methylcyclohexyl]-3-pyridinyl]amino]imidazo[1,5-b]pyridazin-2-yl]-3,5-difluorophenyl]oxane-4-carbonitrile
CID 90252383
4-[4-[7-[[4-[(1R,3R,4R,5S)-3-amino-4-methoxy-5-methylcyclohexyl]-3-pyridinyl]amino]imidazo[1,5-b]pyridazin-2-yl]-3,5-difluorophenyl]oxane-4-carbonitrile
CID 90252152
N-[4-(3-amino-4-methoxy-5-methylcyclohexyl)-3-pyridinyl]-2-[2,6-difluoro-4-(1-methoxycyclopentyl)phenyl]imidazo[1,5-b]pyridazin-7-amine
CID 123853446
3-[2-amino-4-[3-[[2-[2,6-difluoro-4-(2-hydroxyethyl)phenyl]imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]-6-methylcyclohexyl]oxypropanenitrile
CID 123911702
N-[4-[(1R,3R,4S,5S)-3-amino-5-methyl-4-methylsulfonylcyclohexyl]-3-pyridinyl]-2-[2,6-difluoro-4-(oxan-4-yl)phenyl]imidazo[1,5-b]pyridazin-7-amine
CID 118535043

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-amino-5-methyl-4-(2-methylsulfonylethoxy)cyclohexyl]-3-pyridinyl]-2-[2,6-difluoro-4-(3-fluorooxetan-3-yl)phenyl]imidazo[1,5-b]pyridazin-7-amine?
The IUPAC name of N-[4-[3-amino-5-methyl-4-(2-methylsulfonylethoxy)cyclohexyl]-3-pyridinyl]-2-[2,6-difluoro-4-(3-fluorooxetan-3-yl)phenyl]imidazo[1,5-b]pyridazin-7-amine (CID 123766275) is N-[4-[3-amino-5-methyl-4-(2-methylsulfonylethoxy)cyclohexyl]-3-pyridinyl]-2-[2,6-difluoro-4-(3-fluorooxetan-3-yl)phenyl]imidazo[1,5-b]pyridazin-7-amine.
What is the SMILES notation for N-[4-[3-amino-5-methyl-4-(2-methylsulfonylethoxy)cyclohexyl]-3-pyridinyl]-2-[2,6-difluoro-4-(3-fluorooxetan-3-yl)phenyl]imidazo[1,5-b]pyridazin-7-amine?
The canonical SMILES for N-[4-[3-amino-5-methyl-4-(2-methylsulfonylethoxy)cyclohexyl]-3-pyridinyl]-2-[2,6-difluoro-4-(3-fluorooxetan-3-yl)phenyl]imidazo[1,5-b]pyridazin-7-amine is CC1CC(c2ccncc2Nc2ncc3ccc(-c4c(F)cc(C5(F)COC5)cc4F)nn23)CC(N)C1OCCS(C)(=O)=O.
What is the InChIKey of N-[4-[3-amino-5-methyl-4-(2-methylsulfonylethoxy)cyclohexyl]-3-pyridinyl]-2-[2,6-difluoro-4-(3-fluorooxetan-3-yl)phenyl]imidazo[1,5-b]pyridazin-7-amine?
The InChIKey is CFNSHBRVGSFDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F3N6O4S/c1-17-9-18(10-24(34)28(17)43-7-8-44(2,40)41)21-5-6-35-14-26(21)37-29-36-13-20-3-4-25(38-39(20)29)27-22(31)11-19(12-23(27)32)30(33)15-42-16-30/h3-6,11-14,17-18,24,28H,7-10,15-16,34H2,1-2H3,(H,36,37).
What are the key properties of N-[4-[3-amino-5-methyl-4-(2-methylsulfonylethoxy)cyclohexyl]-3-pyridinyl]-2-[2,6-difluoro-4-(3-fluorooxetan-3-yl)phenyl]imidazo[1,5-b]pyridazin-7-amine?
N-[4-[3-amino-5-methyl-4-(2-methylsulfonylethoxy)cyclohexyl]-3-pyridinyl]-2-[2,6-difluoro-4-(3-fluorooxetan-3-yl)phenyl]imidazo[1,5-b]pyridazin-7-amine has a molecular weight of 630.69 g/mol, XLogP of 4.28, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-amino-5-methyl-4-(2-methylsulfonylethoxy)cyclohexyl]-3-pyridinyl]-2-[2,6-difluoro-4-(3-fluorooxetan-3-yl)phenyl]imidazo[1,5-b]pyridazin-7-amine is sourced from PubChem (CID 123766275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).