2-[3-[(1R)-1-[[3-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-8-methylpyrido[2,3-d]pyridazin-5-yl]amino]ethyl]-2-fluorophenyl]-2,2-difluoroethanol

C24H24F3N7O — CID 170112972

IUPAC2-[3-[(1R)-1-[[3-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-8-methylpyrido[2,3-d]pyridazin-5-yl]amino]ethyl]-2-fluorophenyl]-2,2-difluoroethanol
SMILESCc1nnc(N[C@H](C)c2cccc(C(F)(F)CO)c2F)c2cc(N3CCn4nccc4C3)cnc12
InChIInChI=1S/C24H24F3N7O/c1-14(18-4-3-5-20(21(18)25)24(26,27)13-35)30-23-19-10-17(11-28-22(19)15(2)31-32-23)33-8-9-34-16(12-33)6-7-29-34/h3-7,10-11,14,35H,8-9,12-13H2,1-2H3,(H,30,32)/t14-/m1/s1
InChIKeyWZQQMMNQZDTCBZ-CQSZACIVSA-N
MW483.50 g/mol
LogP3.95
Rot. Bonds6

About 2-[3-[(1R)-1-[[3-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-8-methylpyrido[2,3-d]pyridazin-5-yl]amino]ethyl]-2-fluorophenyl]-2,2-difluoroethanol

2-[3-[(1R)-1-[[3-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-8-methylpyrido[2,3-d]pyridazin-5-yl]amino]ethyl]-2-fluorophenyl]-2,2-difluoroethanol (PubChem CID 170112972) has the molecular formula C24H24F3N7O and a molecular weight of 483.50 g/mol. Its IUPAC name is 2-[3-[(1R)-1-[[3-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-8-methylpyrido[2,3-d]pyridazin-5-yl]amino]ethyl]-2-fluorophenyl]-2,2-difluoroethanol.

Molecular Properties

Compound Name2-[3-[(1R)-1-[[3-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-8-methylpyrido[2,3-d]pyridazin-5-yl]amino]ethyl]-2-fluorophenyl]-2,2-difluoroethanol
PubChem CID170112972
Molecular FormulaC24H24F3N7O
Molecular Weight483.50 g/mol
Exact Mass483.20
IUPAC Name2-[3-[(1R)-1-[[3-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-8-methylpyrido[2,3-d]pyridazin-5-yl]amino]ethyl]-2-fluorophenyl]-2,2-difluoroethanol
SMILESCc1nnc(N[C@H](C)c2cccc(C(F)(F)CO)c2F)c2cc(N3CCn4nccc4C3)cnc12
InChIInChI=1S/C24H24F3N7O/c1-14(18-4-3-5-20(21(18)25)24(26,27)13-35)30-23-19-10-17(11-28-22(19)15(2)31-32-23)33-8-9-34-16(12-33)6-7-29-34/h3-7,10-11,14,35H,8-9,12-13H2,1-2H3,(H,30,32)/t14-/m1/s1
InChIKeyWZQQMMNQZDTCBZ-CQSZACIVSA-N
XLogP3.95
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.50
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[3-[(1R)-1-[[3-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-8-methylpyrido[2,3-d]pyridazin-5-yl]amino]ethyl]-2-fluorophenyl]-2,2-difluoroethanol with MolForge

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Related Compounds

2,2-difluoro-2-[2-fluoro-3-[(1R)-1-[[3-[(3S)-3-methoxypyrrolidin-1-yl]-8-methylpyrido[2,3-d]pyridazin-5-yl]amino]ethyl]phenyl]ethanol
CID 168954147
(8aR)-2-[5-[[(1R)-1-[3-(1,1-difluoro-2-hydroxyethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyridazin-3-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 170111662
1-[5-[[(1R)-1-[3-(1,1-difluoroethyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyridazin-3-yl]-4-methylpiperidin-4-ol
CID 170112128
1,1-difluoro-1-[2-fluoro-3-[(1R)-1-[[8-methyl-3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrido[2,3-d]pyridazin-5-yl]amino]ethyl]phenyl]-2-methylpropan-2-ol
CID 170110248
[4-[5-[[(1R)-1-[3-(1,1-difluoro-2-hydroxy-2-methylpropyl)-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyridazin-3-yl]piperazin-1-yl]-(oxetan-3-yl)methanone
CID 170112749
1-[5-[[(1R)-1-[3-[difluoro-(1-hydroxycyclopropyl)methyl]-2-fluorophenyl]ethyl]amino]-8-methylpyrido[2,3-d]pyridazin-3-yl]azetidin-3-ol
CID 170111447
N-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-8-methyl-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrido[2,3-d]pyridazin-5-amine
CID 168954246
2-[3-[(1R)-1-[[3-[(3R,4S)-3,4-dimethoxypyrrolidin-1-yl]-2,8-dimethylpyrido[2,3-d]pyridazin-5-yl]amino]ethyl]-2-fluorophenyl]-2,2-difluoroethanol
CID 170114740
(3S)-1-[5-[[(1R)-1-(2,3-difluorophenyl)ethyl]amino]-8-methylpyrido[2,3-d]pyridazin-3-yl]pyrrolidin-3-ol
CID 170112055
[4-[5-[[(1R)-1-(2,3-difluorophenyl)ethyl]amino]-8-methylpyrido[2,3-d]pyridazin-3-yl]piperazin-1-yl]-(oxetan-3-yl)methanone
CID 170112786
1-[8-[[6-fluoro-4-[(1R)-1-[[3-(4-hydroxy-4-methylpiperidin-1-yl)-8-methylpyrido[2,3-d]pyridazin-5-yl]amino]ethyl]-3-methyl-2-(trifluoromethyl)phenyl]methyl]-5-[[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[2,3-d]pyridazin-3-yl]-4-methylpiperidin-4-ol
CID 170112120
1-[difluoro-[2-fluoro-3-[(1R)-1-[[8-methyl-3-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)pyrido[2,3-d]pyridazin-5-yl]amino]ethyl]phenyl]methyl]cyclopropan-1-ol
CID 170112918

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1R)-1-[[3-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-8-methylpyrido[2,3-d]pyridazin-5-yl]amino]ethyl]-2-fluorophenyl]-2,2-difluoroethanol?
The IUPAC name of 2-[3-[(1R)-1-[[3-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-8-methylpyrido[2,3-d]pyridazin-5-yl]amino]ethyl]-2-fluorophenyl]-2,2-difluoroethanol (CID 170112972) is 2-[3-[(1R)-1-[[3-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-8-methylpyrido[2,3-d]pyridazin-5-yl]amino]ethyl]-2-fluorophenyl]-2,2-difluoroethanol.
What is the SMILES notation for 2-[3-[(1R)-1-[[3-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-8-methylpyrido[2,3-d]pyridazin-5-yl]amino]ethyl]-2-fluorophenyl]-2,2-difluoroethanol?
The canonical SMILES for 2-[3-[(1R)-1-[[3-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-8-methylpyrido[2,3-d]pyridazin-5-yl]amino]ethyl]-2-fluorophenyl]-2,2-difluoroethanol is Cc1nnc(N[C@H](C)c2cccc(C(F)(F)CO)c2F)c2cc(N3CCn4nccc4C3)cnc12.
What is the InChIKey of 2-[3-[(1R)-1-[[3-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-8-methylpyrido[2,3-d]pyridazin-5-yl]amino]ethyl]-2-fluorophenyl]-2,2-difluoroethanol?
The InChIKey is WZQQMMNQZDTCBZ-CQSZACIVSA-N. The full InChI is InChI=1S/C24H24F3N7O/c1-14(18-4-3-5-20(21(18)25)24(26,27)13-35)30-23-19-10-17(11-28-22(19)15(2)31-32-23)33-8-9-34-16(12-33)6-7-29-34/h3-7,10-11,14,35H,8-9,12-13H2,1-2H3,(H,30,32)/t14-/m1/s1.
What are the key properties of 2-[3-[(1R)-1-[[3-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-8-methylpyrido[2,3-d]pyridazin-5-yl]amino]ethyl]-2-fluorophenyl]-2,2-difluoroethanol?
2-[3-[(1R)-1-[[3-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-8-methylpyrido[2,3-d]pyridazin-5-yl]amino]ethyl]-2-fluorophenyl]-2,2-difluoroethanol has a molecular weight of 483.50 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1R)-1-[[3-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-8-methylpyrido[2,3-d]pyridazin-5-yl]amino]ethyl]-2-fluorophenyl]-2,2-difluoroethanol is sourced from PubChem (CID 170112972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).