5-[4-[5-[4-[7-[4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-2-pyrazolo[1,5-a]pyrimidin-6-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-8-yl]-2-tricyclo[6.2.0.01,4]decanyl]-6,6-dimethyl-2-pyrazolo[1,5-a]pyrimidin-6-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-8-yl]-2-azabicyclo[2.1.1]hexan-2-yl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]-3-fluoropyridin-2-amine

C67H69FN22O3 — CID 145150570

IUPAC5-[4-[5-[4-[7-[4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-2-pyrazolo[1,5-a]pyrimidin-6-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-8-yl]-2-tricyclo[6.2.0.01,4]decanyl]-6,6-dimethyl-2-pyrazolo[1,5-a]pyrimidin-6-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-8-yl]-2-azabicyclo[2.1.1]hexan-2-yl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]-3-fluoropyridin-2-amine
SMILESCC1(C)OC(C2C3CC2N(c2nc(-c4cnc(N)c(F)c4)nc4c2nc2n4CCOC2(C)C)C3)Cn2c1nc1c(C3CC4CCC(C5Cn6c(nc7c(N8CC9CC8C9)nc(-c8cnc9ccnn9c8)nc76)C(C)(C)O5)C5CCC435)nc(-c3cnc4ccnn4c3)nc12
InChIInChI=1S/C67H69FN22O3/c1-64(2)61-77-50-57(84(61)15-16-91-64)79-53(32-19-41(68)52(69)72-22-32)80-59(50)86-26-33-20-42(86)47(33)44-30-88-56-49(76-62(88)66(5,6)93-44)48(75-54(81-56)34-23-70-45-10-13-73-89(45)27-34)40-21-36-7-8-38(39-9-12-67(36,39)40)43-29-87-60-51(78-63(87)65(3,4)92-43)58(85-25-31-17-37(85)18-31)82-55(83-60)35-24-71-46-11-14-74-90(46)28-35/h10-11,13-14,19,22-24,27-28,31,33,36-40,42-44,47H,7-9,12,15-18,20-21,25-26,29-30H2,1-6H3,(H2,69,72)
InChIKeySIEDCMCQBFPIRX-UHFFFAOYSA-N
MW1249.44 g/mol
LogP8.58
Rot. Bonds8

About 5-[4-[5-[4-[7-[4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-2-pyrazolo[1,5-a]pyrimidin-6-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-8-yl]-2-tricyclo[6.2.0.01,4]decanyl]-6,6-dimethyl-2-pyrazolo[1,5-a]pyrimidin-6-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-8-yl]-2-azabicyclo[2.1.1]hexan-2-yl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]-3-fluoropyridin-2-amine

5-[4-[5-[4-[7-[4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-2-pyrazolo[1,5-a]pyrimidin-6-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-8-yl]-2-tricyclo[6.2.0.01,4]decanyl]-6,6-dimethyl-2-pyrazolo[1,5-a]pyrimidin-6-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-8-yl]-2-azabicyclo[2.1.1]hexan-2-yl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]-3-fluoropyridin-2-amine (PubChem CID 145150570) has the molecular formula C67H69FN22O3 and a molecular weight of 1249.44 g/mol. Its IUPAC name is 5-[4-[5-[4-[7-[4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-2-pyrazolo[1,5-a]pyrimidin-6-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-8-yl]-2-tricyclo[6.2.0.01,4]decanyl]-6,6-dimethyl-2-pyrazolo[1,5-a]pyrimidin-6-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-8-yl]-2-azabicyclo[2.1.1]hexan-2-yl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name5-[4-[5-[4-[7-[4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-2-pyrazolo[1,5-a]pyrimidin-6-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-8-yl]-2-tricyclo[6.2.0.01,4]decanyl]-6,6-dimethyl-2-pyrazolo[1,5-a]pyrimidin-6-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-8-yl]-2-azabicyclo[2.1.1]hexan-2-yl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]-3-fluoropyridin-2-amine
PubChem CID145150570
Molecular FormulaC67H69FN22O3
Molecular Weight1249.44 g/mol
Exact Mass1248.59
IUPAC Name5-[4-[5-[4-[7-[4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-2-pyrazolo[1,5-a]pyrimidin-6-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-8-yl]-2-tricyclo[6.2.0.01,4]decanyl]-6,6-dimethyl-2-pyrazolo[1,5-a]pyrimidin-6-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-8-yl]-2-azabicyclo[2.1.1]hexan-2-yl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]-3-fluoropyridin-2-amine
SMILESCC1(C)OC(C2C3CC2N(c2nc(-c4cnc(N)c(F)c4)nc4c2nc2n4CCOC2(C)C)C3)Cn2c1nc1c(C3CC4CCC(C5Cn6c(nc7c(N8CC9CC8C9)nc(-c8cnc9ccnn9c8)nc76)C(C)(C)O5)C5CCC435)nc(-c3cnc4ccnn4c3)nc12
InChIInChI=1S/C67H69FN22O3/c1-64(2)61-77-50-57(84(61)15-16-91-64)79-53(32-19-41(68)52(69)72-22-32)80-59(50)86-26-33-20-42(86)47(33)44-30-88-56-49(76-62(88)66(5,6)93-44)48(75-54(81-56)34-23-70-45-10-13-73-89(45)27-34)40-21-36-7-8-38(39-9-12-67(36,39)40)43-29-87-60-51(78-63(87)65(3,4)92-43)58(85-25-31-17-37(85)18-31)82-55(83-60)35-24-71-46-11-14-74-90(46)28-35/h10-11,13-14,19,22-24,27-28,31,33,36-40,42-44,47H,7-9,12,15-18,20-21,25-26,29-30H2,1-6H3,(H2,69,72)
InChIKeySIEDCMCQBFPIRX-UHFFFAOYSA-N
XLogP8.58
TPSA264.26 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds8
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001249.44
LogP ≤ 58.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Analyze 5-[4-[5-[4-[7-[4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-2-pyrazolo[1,5-a]pyrimidin-6-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-8-yl]-2-tricyclo[6.2.0.01,4]decanyl]-6,6-dimethyl-2-pyrazolo[1,5-a]pyrimidin-6-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-8-yl]-2-azabicyclo[2.1.1]hexan-2-yl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]-3-fluoropyridin-2-amine with MolForge

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Related Compounds

4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-2-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-8,9-dihydropurino[8,9-c][1,4]oxazine;5-[4-(2-azaspiro[3.3]heptan-2-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;4-(3,3-difluoropyrrolidin-1-yl)-6,6-dimethyl-2-pyrazolo[1,5-a]pyrimidin-6-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;5-[6,6-dimethyl-4-(1-methylpyrazol-4-yl)-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;5-[6,6-dimethyl-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine
CID 161345333
4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-2-pyrazolo[1,5-a]pyrimidin-6-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;5-[(6S)-4-(2-azabicyclo[2.1.1]hexan-2-yl)-6-ethyl-6-methyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine;5-[4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,8,9,10-tetrahydropurino[8,9-c][1,4]oxazepin-2-yl]pyrimidin-2-amine;5-[4-(3,3-difluoropyrrolidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]-3-fluoropyridin-2-amine;5-[4-(2,5-dimethylpyrrolidin-1-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine
CID 162061331
1-(2,2-difluoroethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;bis(1-methyl-3-(3-methyloxan-4-yl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(4,4,4-trifluorobutyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 167700081
(3S,4S)-3-methyl-8-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;(3S,4S)-3-methyl-8-[7-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;sulfane
CID 157628657
3-methyl-6-[6-[(3S)-3-methylmorpholin-4-yl]-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[6-(oxan-4-yl)-1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[6-(oxan-4-yl)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-N-propan-2-yl-6-[6-propan-2-yl-1-[(1S)-1-pyridin-2-ylethyl]imidazo[4,5-c]pyridin-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 158126787
5-(3,5-Dimethyltriazol-4-yl)-8-[(3-fluoro-2-pyridinyl)-(oxan-4-yl)methyl]-11-[3-methyl-5-(trideuteriomethyl)triazol-4-yl]-3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 160631158
4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(1R)-1-(oxetan-3-yl)ethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(1S)-1-(oxetan-3-yl)ethyl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[2-(1-oxa-7-azaspiro[3.5]nonan-7-yl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
CID 160663444
1-(2-cyclopropyloxan-4-yl)-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-[2-(difluoromethyl)oxan-4-yl]-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3,3-dimethyloxan-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-(3-fluoro-2,2-dimethyloxan-4-yl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;1-[3-(2-methoxyethyl)cyclobutyl]-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[2-(oxetan-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 167556610
1-(2-cyclopropylethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-cyclopropylpropyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(4,4-difluorobutyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(8-oxabicyclo[3.2.1]octan-3-yl)pyrazolo[4,3-d]pyrimidin-5-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxetan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxetan-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 167570895
1-(cyclobutylmethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclobutyl-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclopentyl-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-spiro[3.3]heptan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine
CID 167591003
1-[3-(dimethylamino)propyl]-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(1-(2,2-dimethyloxan-4-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);1-(2-methoxyethyl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(3-methyl-1-(3-methyloxan-4-yl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine)
CID 167601711
1-(2-methoxyspiro[3.3]heptan-6-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine);bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine);3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 167619605

Frequently Asked Questions

What is the IUPAC name of 5-[4-[5-[4-[7-[4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-2-pyrazolo[1,5-a]pyrimidin-6-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-8-yl]-2-tricyclo[6.2.0.01,4]decanyl]-6,6-dimethyl-2-pyrazolo[1,5-a]pyrimidin-6-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-8-yl]-2-azabicyclo[2.1.1]hexan-2-yl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]-3-fluoropyridin-2-amine?
The IUPAC name of 5-[4-[5-[4-[7-[4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-2-pyrazolo[1,5-a]pyrimidin-6-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-8-yl]-2-tricyclo[6.2.0.01,4]decanyl]-6,6-dimethyl-2-pyrazolo[1,5-a]pyrimidin-6-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-8-yl]-2-azabicyclo[2.1.1]hexan-2-yl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]-3-fluoropyridin-2-amine (CID 145150570) is 5-[4-[5-[4-[7-[4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-2-pyrazolo[1,5-a]pyrimidin-6-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-8-yl]-2-tricyclo[6.2.0.01,4]decanyl]-6,6-dimethyl-2-pyrazolo[1,5-a]pyrimidin-6-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-8-yl]-2-azabicyclo[2.1.1]hexan-2-yl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]-3-fluoropyridin-2-amine.
What is the SMILES notation for 5-[4-[5-[4-[7-[4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-2-pyrazolo[1,5-a]pyrimidin-6-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-8-yl]-2-tricyclo[6.2.0.01,4]decanyl]-6,6-dimethyl-2-pyrazolo[1,5-a]pyrimidin-6-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-8-yl]-2-azabicyclo[2.1.1]hexan-2-yl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]-3-fluoropyridin-2-amine?
The canonical SMILES for 5-[4-[5-[4-[7-[4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-2-pyrazolo[1,5-a]pyrimidin-6-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-8-yl]-2-tricyclo[6.2.0.01,4]decanyl]-6,6-dimethyl-2-pyrazolo[1,5-a]pyrimidin-6-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-8-yl]-2-azabicyclo[2.1.1]hexan-2-yl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]-3-fluoropyridin-2-amine is CC1(C)OC(C2C3CC2N(c2nc(-c4cnc(N)c(F)c4)nc4c2nc2n4CCOC2(C)C)C3)Cn2c1nc1c(C3CC4CCC(C5Cn6c(nc7c(N8CC9CC8C9)nc(-c8cnc9ccnn9c8)nc76)C(C)(C)O5)C5CCC435)nc(-c3cnc4ccnn4c3)nc12.
What is the InChIKey of 5-[4-[5-[4-[7-[4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-2-pyrazolo[1,5-a]pyrimidin-6-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-8-yl]-2-tricyclo[6.2.0.01,4]decanyl]-6,6-dimethyl-2-pyrazolo[1,5-a]pyrimidin-6-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-8-yl]-2-azabicyclo[2.1.1]hexan-2-yl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]-3-fluoropyridin-2-amine?
The InChIKey is SIEDCMCQBFPIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H69FN22O3/c1-64(2)61-77-50-57(84(61)15-16-91-64)79-53(32-19-41(68)52(69)72-22-32)80-59(50)86-26-33-20-42(86)47(33)44-30-88-56-49(76-62(88)66(5,6)93-44)48(75-54(81-56)34-23-70-45-10-13-73-89(45)27-34)40-21-36-7-8-38(39-9-12-67(36,39)40)43-29-87-60-51(78-63(87)65(3,4)92-43)58(85-25-31-17-37(85)18-31)82-55(83-60)35-24-71-46-11-14-74-90(46)28-35/h10-11,13-14,19,22-24,27-28,31,33,36-40,42-44,47H,7-9,12,15-18,20-21,25-26,29-30H2,1-6H3,(H2,69,72).
What are the key properties of 5-[4-[5-[4-[7-[4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-2-pyrazolo[1,5-a]pyrimidin-6-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-8-yl]-2-tricyclo[6.2.0.01,4]decanyl]-6,6-dimethyl-2-pyrazolo[1,5-a]pyrimidin-6-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-8-yl]-2-azabicyclo[2.1.1]hexan-2-yl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]-3-fluoropyridin-2-amine?
5-[4-[5-[4-[7-[4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-2-pyrazolo[1,5-a]pyrimidin-6-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-8-yl]-2-tricyclo[6.2.0.01,4]decanyl]-6,6-dimethyl-2-pyrazolo[1,5-a]pyrimidin-6-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-8-yl]-2-azabicyclo[2.1.1]hexan-2-yl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]-3-fluoropyridin-2-amine has a molecular weight of 1249.44 g/mol, XLogP of 8.58, 8 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[5-[4-[7-[4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-2-pyrazolo[1,5-a]pyrimidin-6-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-8-yl]-2-tricyclo[6.2.0.01,4]decanyl]-6,6-dimethyl-2-pyrazolo[1,5-a]pyrimidin-6-yl-8,9-dihydropurino[8,9-c][1,4]oxazin-8-yl]-2-azabicyclo[2.1.1]hexan-2-yl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]-3-fluoropyridin-2-amine is sourced from PubChem (CID 145150570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).