2-amino-4-[3-[[2-(2,6-difluoro-4-methoxyphenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]-1,6-dimethylcyclohexan-1-ol

C26H28F2N6O2 — CID 123385541

IUPAC2-amino-4-[3-[[2-(2,6-difluoro-4-methoxyphenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]-1,6-dimethylcyclohexan-1-ol
SMILESCOc1cc(F)c(-c2ccc3cnc(Nc4cnccc4C4CC(C)C(C)(O)C(N)C4)n3n2)c(F)c1
InChIInChI=1S/C26H28F2N6O2/c1-14-8-15(9-23(29)26(14,2)35)18-6-7-30-13-22(18)32-25-31-12-16-4-5-21(33-34(16)25)24-19(27)10-17(36-3)11-20(24)28/h4-7,10-15,23,35H,8-9,29H2,1-3H3,(H,31,32)
InChIKeyORFCZEDVHAJCPR-UHFFFAOYSA-N
MW494.55 g/mol
LogP4.41
Rot. Bonds5

About 2-amino-4-[3-[[2-(2,6-difluoro-4-methoxyphenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]-1,6-dimethylcyclohexan-1-ol

2-amino-4-[3-[[2-(2,6-difluoro-4-methoxyphenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]-1,6-dimethylcyclohexan-1-ol (PubChem CID 123385541) has the molecular formula C26H28F2N6O2 and a molecular weight of 494.55 g/mol. Its IUPAC name is 2-amino-4-[3-[[2-(2,6-difluoro-4-methoxyphenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]-1,6-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-amino-4-[3-[[2-(2,6-difluoro-4-methoxyphenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]-1,6-dimethylcyclohexan-1-ol
PubChem CID123385541
Molecular FormulaC26H28F2N6O2
Molecular Weight494.55 g/mol
Exact Mass494.22
IUPAC Name2-amino-4-[3-[[2-(2,6-difluoro-4-methoxyphenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]-1,6-dimethylcyclohexan-1-ol
SMILESCOc1cc(F)c(-c2ccc3cnc(Nc4cnccc4C4CC(C)C(C)(O)C(N)C4)n3n2)c(F)c1
InChIInChI=1S/C26H28F2N6O2/c1-14-8-15(9-23(29)26(14,2)35)18-6-7-30-13-22(18)32-25-31-12-16-4-5-21(33-34(16)25)24-19(27)10-17(36-3)11-20(24)28/h4-7,10-15,23,35H,8-9,29H2,1-3H3,(H,31,32)
InChIKeyORFCZEDVHAJCPR-UHFFFAOYSA-N
XLogP4.41
TPSA110.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-amino-4-[3-[[2-(2,6-difluoro-4-methoxyphenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]-1,6-dimethylcyclohexan-1-ol with MolForge

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Related Compounds

3-[4-[7-[[4-(3-amino-4-hydroxy-4,5-dimethylcyclohexyl)-3-pyridinyl]amino]imidazo[1,5-b]pyridazin-2-yl]-3,5-difluorophenyl]oxetan-3-ol
CID 123694194
(1R,2R,6S)-2-amino-4-[3-[[2-[4-(ethoxymethyl)-2,6-difluorophenyl]imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]-1,6-dimethylcyclohexan-1-ol
CID 90252290
N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluoro-4-methoxyphenyl)imidazo[1,5-b]pyridazin-7-amine
CID 123615944
(1S,2R,4R,6S)-2-amino-4-[3-[[2-(2,6-difluoro-4-propan-2-yloxyphenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]-6-methylcyclohexan-1-ol
CID 90251946
4-[7-[[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]amino]imidazo[1,5-b]pyridazin-2-yl]-3,5-difluorophenol
CID 137043216
methyl N-[2-amino-4-[3-[[2-(2,6-difluoro-4-hydroxyphenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]-6-methylcyclohexyl]carbamate
CID 137029751
(1R,2R,4R,6S)-2-amino-4-[3-[[2-[2,6-difluoro-4-(2-hydroxyethoxy)phenyl]imidazo[1,5-b]pyridazin-7-yl]methyl]-4-pyridinyl]-1,6-dimethylcyclohexan-1-ol
CID 162071110
2-[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]ethanol
CID 90252142
N-[(1S,2R,4R,6S)-2-amino-4-[3-[[2-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]-6-methylcyclohexyl]-N-methylacetamide
CID 90252461
methyl N-[(1S,2R,4R,6S)-2-amino-4-[3-[[2-[2,6-difluoro-4-(methoxymethyl)phenyl]imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]-6-methylcyclohexyl]-N-methylcarbamate
CID 90252125
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
N-[(1S,2R,4R,6S)-2-amino-4-[3-[[2-(2,6-difluoro-4-propan-2-yloxyphenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]-6-methylcyclohexyl]acetamide
CID 90251862

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-[[2-(2,6-difluoro-4-methoxyphenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]-1,6-dimethylcyclohexan-1-ol?
The IUPAC name of 2-amino-4-[3-[[2-(2,6-difluoro-4-methoxyphenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]-1,6-dimethylcyclohexan-1-ol (CID 123385541) is 2-amino-4-[3-[[2-(2,6-difluoro-4-methoxyphenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]-1,6-dimethylcyclohexan-1-ol.
What is the SMILES notation for 2-amino-4-[3-[[2-(2,6-difluoro-4-methoxyphenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]-1,6-dimethylcyclohexan-1-ol?
The canonical SMILES for 2-amino-4-[3-[[2-(2,6-difluoro-4-methoxyphenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]-1,6-dimethylcyclohexan-1-ol is COc1cc(F)c(-c2ccc3cnc(Nc4cnccc4C4CC(C)C(C)(O)C(N)C4)n3n2)c(F)c1.
What is the InChIKey of 2-amino-4-[3-[[2-(2,6-difluoro-4-methoxyphenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]-1,6-dimethylcyclohexan-1-ol?
The InChIKey is ORFCZEDVHAJCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N6O2/c1-14-8-15(9-23(29)26(14,2)35)18-6-7-30-13-22(18)32-25-31-12-16-4-5-21(33-34(16)25)24-19(27)10-17(36-3)11-20(24)28/h4-7,10-15,23,35H,8-9,29H2,1-3H3,(H,31,32).
What are the key properties of 2-amino-4-[3-[[2-(2,6-difluoro-4-methoxyphenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]-1,6-dimethylcyclohexan-1-ol?
2-amino-4-[3-[[2-(2,6-difluoro-4-methoxyphenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]-1,6-dimethylcyclohexan-1-ol has a molecular weight of 494.55 g/mol, XLogP of 4.41, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-[[2-(2,6-difluoro-4-methoxyphenyl)imidazo[1,5-b]pyridazin-7-yl]amino]-4-pyridinyl]-1,6-dimethylcyclohexan-1-ol is sourced from PubChem (CID 123385541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).