7-(7-fluoro-3-methylquinoxalin-2-yl)-2-[3-[2-methyl-1-[[7-(3-methylquinoxalin-2-yl)-2-[2-[4-[[7-(3-methylquinoxalin-2-yl)-2-pyrrolidin-1-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]oxan-2-yl]pyrrolidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]propan-2-yl]oxypyrrolidin-1-yl]-N-(oxan-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine

C68H73FN24O3 — CID 144537030

IUPAC7-(7-fluoro-3-methylquinoxalin-2-yl)-2-[3-[2-methyl-1-[[7-(3-methylquinoxalin-2-yl)-2-[2-[4-[[7-(3-methylquinoxalin-2-yl)-2-pyrrolidin-1-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]oxan-2-yl]pyrrolidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]propan-2-yl]oxypyrrolidin-1-yl]-N-(oxan-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCc1nc2ccccc2nc1-c1cc2nc(N3CCCC3C3CC(Nc4nc(N5CCCC5)nc5cc(-c6nc7ccccc7nc6C)nn45)CCO3)nc(NCC(C)(C)OC3CCN(c4nc(NC5CCOCC5)n5nc(-c6nc7cc(F)ccc7nc6C)cc5n4)C3)n2n1
InChIInChI=1S/C68H73FN24O3/c1-38-59(76-47-15-8-6-13-45(47)71-38)51-35-58-81-65(90-26-12-17-54(90)55-32-43(23-30-95-55)75-67-83-63(88-24-10-11-25-88)79-56-33-52(86-93(56)67)60-39(2)72-46-14-7-9-16-48(46)77-60)82-62(91(58)85-51)70-37-68(4,5)96-44-20-27-89(36-44)64-80-57-34-53(61-40(3)73-49-19-18-41(69)31-50(49)78-61)87-92(57)66(84-64)74-42-21-28-94-29-22-42/h6-9,13-16,18-19,31,33-35,42-44,54-55H,10-12,17,20-30,32,36-37H2,1-5H3,(H,70,81,82)(H,74,80,84)(H,75,79,83)
InChIKeyTWWOJMRUGGAYDF-UHFFFAOYSA-N
MW1293.49 g/mol
LogP9.20
Rot. Bonds16

About 7-(7-fluoro-3-methylquinoxalin-2-yl)-2-[3-[2-methyl-1-[[7-(3-methylquinoxalin-2-yl)-2-[2-[4-[[7-(3-methylquinoxalin-2-yl)-2-pyrrolidin-1-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]oxan-2-yl]pyrrolidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]propan-2-yl]oxypyrrolidin-1-yl]-N-(oxan-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine

7-(7-fluoro-3-methylquinoxalin-2-yl)-2-[3-[2-methyl-1-[[7-(3-methylquinoxalin-2-yl)-2-[2-[4-[[7-(3-methylquinoxalin-2-yl)-2-pyrrolidin-1-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]oxan-2-yl]pyrrolidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]propan-2-yl]oxypyrrolidin-1-yl]-N-(oxan-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 144537030) has the molecular formula C68H73FN24O3 and a molecular weight of 1293.49 g/mol. Its IUPAC name is 7-(7-fluoro-3-methylquinoxalin-2-yl)-2-[3-[2-methyl-1-[[7-(3-methylquinoxalin-2-yl)-2-[2-[4-[[7-(3-methylquinoxalin-2-yl)-2-pyrrolidin-1-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]oxan-2-yl]pyrrolidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]propan-2-yl]oxypyrrolidin-1-yl]-N-(oxan-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name7-(7-fluoro-3-methylquinoxalin-2-yl)-2-[3-[2-methyl-1-[[7-(3-methylquinoxalin-2-yl)-2-[2-[4-[[7-(3-methylquinoxalin-2-yl)-2-pyrrolidin-1-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]oxan-2-yl]pyrrolidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]propan-2-yl]oxypyrrolidin-1-yl]-N-(oxan-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID144537030
Molecular FormulaC68H73FN24O3
Molecular Weight1293.49 g/mol
Exact Mass1292.63
IUPAC Name7-(7-fluoro-3-methylquinoxalin-2-yl)-2-[3-[2-methyl-1-[[7-(3-methylquinoxalin-2-yl)-2-[2-[4-[[7-(3-methylquinoxalin-2-yl)-2-pyrrolidin-1-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]oxan-2-yl]pyrrolidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]propan-2-yl]oxypyrrolidin-1-yl]-N-(oxan-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCc1nc2ccccc2nc1-c1cc2nc(N3CCCC3C3CC(Nc4nc(N5CCCC5)nc5cc(-c6nc7ccccc7nc6C)nn45)CCO3)nc(NCC(C)(C)OC3CCN(c4nc(NC5CCOCC5)n5nc(-c6nc7cc(F)ccc7nc6C)cc5n4)C3)n2n1
InChIInChI=1S/C68H73FN24O3/c1-38-59(76-47-15-8-6-13-45(47)71-38)51-35-58-81-65(90-26-12-17-54(90)55-32-43(23-30-95-55)75-67-83-63(88-24-10-11-25-88)79-56-33-52(86-93(56)67)60-39(2)72-46-14-7-9-16-48(46)77-60)82-62(91(58)85-51)70-37-68(4,5)96-44-20-27-89(36-44)64-80-57-34-53(61-40(3)73-49-19-18-41(69)31-50(49)78-61)87-92(57)66(84-64)74-42-21-28-94-29-22-42/h6-9,13-16,18-19,31,33-35,42-44,54-55H,10-12,17,20-30,32,36-37H2,1-5H3,(H,70,81,82)(H,74,80,84)(H,75,79,83)
InChIKeyTWWOJMRUGGAYDF-UHFFFAOYSA-N
XLogP9.20
TPSA280.08 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds16
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001293.49
LogP ≤ 59.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Analyze 7-(7-fluoro-3-methylquinoxalin-2-yl)-2-[3-[2-methyl-1-[[7-(3-methylquinoxalin-2-yl)-2-[2-[4-[[7-(3-methylquinoxalin-2-yl)-2-pyrrolidin-1-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]oxan-2-yl]pyrrolidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]propan-2-yl]oxypyrrolidin-1-yl]-N-(oxan-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine with MolForge

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Related Compounds

N-[(2R,6S)-2,6-dimethyloxan-4-yl]-5-[(3S)-3-fluoropyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71099789
N-[2-[1-[7-(7-fluoro-3-methylquinoxalin-2-yl)-4-morpholin-4-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]pyrrolidin-3-yl]oxy-2-methylpropyl]-2-[(3R)-3-fluoropyrrolidin-1-yl]-7-(3-methyl-5,6,7,8-tetrahydroquinoxalin-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 144537042
4-[6-[6-(Difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5,5-difluoro-2-methylpiperidin-3-yl]methanol;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoropiperidin-3-amine;1-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanamine;[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanamine
CID 157125171
4-[5-(1,3-dimethylpyrazol-4-yl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(2-piperidin-1-yl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
CID 162030654
5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(3-methylquinoxalin-2-yl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71099857
2-(4-methylquinolin-2-yl)-N-[2-[1-[2-(3-methylquinolin-2-yl)-7-(oxan-4-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]oxan-4-yl]-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 123752312
4-[[2-(3,7-Dimethylquinoxalin-2-yl)-5-[3-[4-[[2-(3,7-dimethylquinoxalin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]oxolan-2-yl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclohexan-1-ol
CID 144241334
[2-(3-Methylquinolin-2-yl)-5-[2-[4-[[2-(4-methylquinolin-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]oxan-2-yl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]-(oxan-4-yl)azanium
CID 144241335
(3S,4S)-3-methyl-8-[3-[6-(1-methylpyrazol-3-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-3-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 158452470
6-[6-(dimethylamino)-1-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;6-[1-[(5-fluoro-2-pyridinyl)methyl]-6-morpholin-4-ylimidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine;3-methyl-6-[6-[(3S)-3-methylmorpholin-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-6-[6-[(3R)-3-methylmorpholin-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
CID 160719891
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

Frequently Asked Questions

What is the IUPAC name of 7-(7-fluoro-3-methylquinoxalin-2-yl)-2-[3-[2-methyl-1-[[7-(3-methylquinoxalin-2-yl)-2-[2-[4-[[7-(3-methylquinoxalin-2-yl)-2-pyrrolidin-1-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]oxan-2-yl]pyrrolidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]propan-2-yl]oxypyrrolidin-1-yl]-N-(oxan-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 7-(7-fluoro-3-methylquinoxalin-2-yl)-2-[3-[2-methyl-1-[[7-(3-methylquinoxalin-2-yl)-2-[2-[4-[[7-(3-methylquinoxalin-2-yl)-2-pyrrolidin-1-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]oxan-2-yl]pyrrolidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]propan-2-yl]oxypyrrolidin-1-yl]-N-(oxan-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 144537030) is 7-(7-fluoro-3-methylquinoxalin-2-yl)-2-[3-[2-methyl-1-[[7-(3-methylquinoxalin-2-yl)-2-[2-[4-[[7-(3-methylquinoxalin-2-yl)-2-pyrrolidin-1-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]oxan-2-yl]pyrrolidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]propan-2-yl]oxypyrrolidin-1-yl]-N-(oxan-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 7-(7-fluoro-3-methylquinoxalin-2-yl)-2-[3-[2-methyl-1-[[7-(3-methylquinoxalin-2-yl)-2-[2-[4-[[7-(3-methylquinoxalin-2-yl)-2-pyrrolidin-1-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]oxan-2-yl]pyrrolidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]propan-2-yl]oxypyrrolidin-1-yl]-N-(oxan-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 7-(7-fluoro-3-methylquinoxalin-2-yl)-2-[3-[2-methyl-1-[[7-(3-methylquinoxalin-2-yl)-2-[2-[4-[[7-(3-methylquinoxalin-2-yl)-2-pyrrolidin-1-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]oxan-2-yl]pyrrolidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]propan-2-yl]oxypyrrolidin-1-yl]-N-(oxan-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine is Cc1nc2ccccc2nc1-c1cc2nc(N3CCCC3C3CC(Nc4nc(N5CCCC5)nc5cc(-c6nc7ccccc7nc6C)nn45)CCO3)nc(NCC(C)(C)OC3CCN(c4nc(NC5CCOCC5)n5nc(-c6nc7cc(F)ccc7nc6C)cc5n4)C3)n2n1.
What is the InChIKey of 7-(7-fluoro-3-methylquinoxalin-2-yl)-2-[3-[2-methyl-1-[[7-(3-methylquinoxalin-2-yl)-2-[2-[4-[[7-(3-methylquinoxalin-2-yl)-2-pyrrolidin-1-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]oxan-2-yl]pyrrolidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]propan-2-yl]oxypyrrolidin-1-yl]-N-(oxan-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is TWWOJMRUGGAYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H73FN24O3/c1-38-59(76-47-15-8-6-13-45(47)71-38)51-35-58-81-65(90-26-12-17-54(90)55-32-43(23-30-95-55)75-67-83-63(88-24-10-11-25-88)79-56-33-52(86-93(56)67)60-39(2)72-46-14-7-9-16-48(46)77-60)82-62(91(58)85-51)70-37-68(4,5)96-44-20-27-89(36-44)64-80-57-34-53(61-40(3)73-49-19-18-41(69)31-50(49)78-61)87-92(57)66(84-64)74-42-21-28-94-29-22-42/h6-9,13-16,18-19,31,33-35,42-44,54-55H,10-12,17,20-30,32,36-37H2,1-5H3,(H,70,81,82)(H,74,80,84)(H,75,79,83).
What are the key properties of 7-(7-fluoro-3-methylquinoxalin-2-yl)-2-[3-[2-methyl-1-[[7-(3-methylquinoxalin-2-yl)-2-[2-[4-[[7-(3-methylquinoxalin-2-yl)-2-pyrrolidin-1-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]oxan-2-yl]pyrrolidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]propan-2-yl]oxypyrrolidin-1-yl]-N-(oxan-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
7-(7-fluoro-3-methylquinoxalin-2-yl)-2-[3-[2-methyl-1-[[7-(3-methylquinoxalin-2-yl)-2-[2-[4-[[7-(3-methylquinoxalin-2-yl)-2-pyrrolidin-1-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]oxan-2-yl]pyrrolidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]propan-2-yl]oxypyrrolidin-1-yl]-N-(oxan-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 1293.49 g/mol, XLogP of 9.20, 16 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(7-fluoro-3-methylquinoxalin-2-yl)-2-[3-[2-methyl-1-[[7-(3-methylquinoxalin-2-yl)-2-[2-[4-[[7-(3-methylquinoxalin-2-yl)-2-pyrrolidin-1-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]oxan-2-yl]pyrrolidin-1-yl]pyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]propan-2-yl]oxypyrrolidin-1-yl]-N-(oxan-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 144537030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).