3-(4,4-difluorocyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(3-[4-(difluoromethoxy)cyclohexyl]-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);bis(3-(4-methoxycyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine

C117H132F6N48O5 — CID 167604097

IUPAC3-(4,4-difluorocyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(3-[4-(difluoromethoxy)cyclohexyl]-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);bis(3-(4-methoxycyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine
SMILESCOC1CCC(c2nn(C)c3cnc(Nc4cn5ncnc5cc4C)nc23)CC1.COC1CCC(c2nn(C)c3cnc(Nc4cn5ncnc5cc4C)nc23)CC1.Cc1cc2ncnn2cc1Nc1ncc2c(n1)c(C1CCC(F)(F)CC1)nn2C.Cc1cc2ncnn2cc1Nc1ncc2c(n1)c(C1CCC(OC(F)F)CC1)nn2C.Cc1cc2ncnn2cc1Nc1ncc2c(n1)c(C1CCC(OC(F)F)CC1)nn2C.Cc1cc2ncnn2cc1Nc1ncc2c(n1)c(C1CCOCC1)nn2C
InChIInChI=1S/2C20H22F2N8O.2C20H24N8O.C19H20F2N8.C18H20N8O/c2*1-11-7-16-24-10-25-30(16)9-14(11)26-20-23-8-15-18(27-20)17(28-29(15)2)12-3-5-13(6-4-12)31-19(21)22;2*1-12-8-17-22-11-23-28(17)10-15(12)24-20-21-9-16-19(25-20)18(26-27(16)2)13-4-6-14(29-3)7-5-13;1-11-7-15-23-10-24-29(15)9-13(11)25-18-22-8-14-17(26-18)16(27-28(14)2)12-3-5-19(20,21)6-4-12;1-11-7-15-20-10-21-26(15)9-13(11)22-18-19-8-14-17(23-18)16(24-25(14)2)12-3-5-27-6-4-12/h2*7-10,12-13,19H,3-6H2,1-2H3,(H,23,26,27);2*8-11,13-14H,4-7H2,1-3H3,(H,21,24,25);7-10,12H,3-6H2,1-2H3,(H,22,25,26);7-10,12H,3-6H2,1-2H3,(H,19,22,23)
InChIKeyKDLHHHBSSOEJEO-UHFFFAOYSA-N
MW2404.66 g/mol
LogP19.81
Rot. Bonds24

About 3-(4,4-difluorocyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(3-[4-(difluoromethoxy)cyclohexyl]-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);bis(3-(4-methoxycyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine

3-(4,4-difluorocyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(3-[4-(difluoromethoxy)cyclohexyl]-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);bis(3-(4-methoxycyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine (PubChem CID 167604097) has the molecular formula C117H132F6N48O5 and a molecular weight of 2404.66 g/mol. Its IUPAC name is 3-(4,4-difluorocyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(3-[4-(difluoromethoxy)cyclohexyl]-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);bis(3-(4-methoxycyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine.

Molecular Properties

Compound Name3-(4,4-difluorocyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(3-[4-(difluoromethoxy)cyclohexyl]-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);bis(3-(4-methoxycyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine
PubChem CID167604097
Molecular FormulaC117H132F6N48O5
Molecular Weight2404.66 g/mol
Exact Mass2403.15
IUPAC Name3-(4,4-difluorocyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(3-[4-(difluoromethoxy)cyclohexyl]-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);bis(3-(4-methoxycyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine
SMILESCOC1CCC(c2nn(C)c3cnc(Nc4cn5ncnc5cc4C)nc23)CC1.COC1CCC(c2nn(C)c3cnc(Nc4cn5ncnc5cc4C)nc23)CC1.Cc1cc2ncnn2cc1Nc1ncc2c(n1)c(C1CCC(F)(F)CC1)nn2C.Cc1cc2ncnn2cc1Nc1ncc2c(n1)c(C1CCC(OC(F)F)CC1)nn2C.Cc1cc2ncnn2cc1Nc1ncc2c(n1)c(C1CCC(OC(F)F)CC1)nn2C.Cc1cc2ncnn2cc1Nc1ncc2c(n1)c(C1CCOCC1)nn2C
InChIInChI=1S/2C20H22F2N8O.2C20H24N8O.C19H20F2N8.C18H20N8O/c2*1-11-7-16-24-10-25-30(16)9-14(11)26-20-23-8-15-18(27-20)17(28-29(15)2)12-3-5-13(6-4-12)31-19(21)22;2*1-12-8-17-22-11-23-28(17)10-15(12)24-20-21-9-16-19(25-20)18(26-27(16)2)13-4-6-14(29-3)7-5-13;1-11-7-15-23-10-24-29(15)9-13(11)25-18-22-8-14-17(26-18)16(27-28(14)2)12-3-5-19(20,21)6-4-12;1-11-7-15-20-10-21-26(15)9-13(11)22-18-19-8-14-17(23-18)16(24-25(14)2)12-3-5-27-6-4-12/h2*7-10,12-13,19H,3-6H2,1-2H3,(H,23,26,27);2*8-11,13-14H,4-7H2,1-3H3,(H,21,24,25);7-10,12H,3-6H2,1-2H3,(H,22,25,26);7-10,12H,3-6H2,1-2H3,(H,19,22,23)
InChIKeyKDLHHHBSSOEJEO-UHFFFAOYSA-N
XLogP19.81
TPSA561.07 Ų
H-Bond Donors6
H-Bond Acceptors53
Rotatable Bonds24
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002404.66
LogP ≤ 519.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1053

Analyze 3-(4,4-difluorocyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(3-[4-(difluoromethoxy)cyclohexyl]-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);bis(3-(4-methoxycyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine with MolForge

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Related Compounds

N-[2-[[[4-[3-[[2-[[[4-[3-[[2-[[3-[[2-[(2-fluoro-2-methylpropoxy)-(4-fluorophenyl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-5-methylpyrazol-1-yl]methoxy-(4-fluorophenyl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-5-methylpyrazol-1-yl]oxolan-2-yl]methylamino]-(4-fluorophenyl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-5-methylpyrazol-1-yl]oxolan-2-yl]methylamino]-(4-fluorophenyl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-N',3-dimethylbut-2-enimidamide
CID 91050275
1-[4-[1-ethyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-1-[4-(4-methylpiperazin-1-yl)-N-[[4-[4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]carbamoyl]anilino]-3-pyridin-3-ylurea
CID 91273079
3-[4-[2-[[(2S)-1-(difluoromethoxy)propan-2-yl]amino]-7-[4-[[3-[4-[7-[4-[[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]-(oxetan-2-yl)methoxy]cyclohexyl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-pyridinyl]-2-oxo-1,3-oxazolidin-4-yl]oxy]cyclohexyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]propanenitrile
CID 155178579
N-[(2S)-1-cyclopropylpropan-2-yl]-7-[4-[4-[2-[[(2S)-1-cyclopropylpropan-2-yl]amino]-5-(2-methyl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexyl]peroxycyclohexyl]-5-[4-[[3-[4-[2-[[(2S)-1-(difluoromethoxy)propan-2-yl]amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexyl]oxymorpholin-4-yl]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 155178622
4-[2-[[(2S)-1-(difluoromethoxy)propan-2-yl]amino]-5-[1-[1-[[7-(4-hydroxycyclohexyl)-5-[2-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-[(2S)-1-methoxypropan-2-yl]amino]-2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
CID 155178798
4-[5-[6-[4-[4-[2-[[(2S)-1-(difluoromethoxy)propan-2-yl]amino]-5-[1-(oxetan-3-yl)pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexyl]oxypiperazin-1-yl]-3-pyridinyl]-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
CID 155178840
5-[1-(2-methylsulfonylethyl)pyrazol-4-yl]-7-[4-[4-[5-[1-[(3S)-4-[4-[5-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexyl]oxyoxolan-3-yl]pyrazol-4-yl]-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexyl]peroxycyclohexyl]-N-[(2S)-4,4,4-trifluorobutan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 155178888
3-[4-(difluoromethoxy)cyclohexyl]-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine
CID 155365410
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
Tetraaluminum;8-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate
CID 157220125
4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(3-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(6-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
CID 157335128
4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-1-(difluoromethoxy)propan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[5-(1-cyclobutylpyrazol-4-yl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;1-[[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]methyl]cyclopropane-1-carbonitrile
CID 157523065

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-difluorocyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(3-[4-(difluoromethoxy)cyclohexyl]-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);bis(3-(4-methoxycyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine?
The IUPAC name of 3-(4,4-difluorocyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(3-[4-(difluoromethoxy)cyclohexyl]-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);bis(3-(4-methoxycyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine (CID 167604097) is 3-(4,4-difluorocyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(3-[4-(difluoromethoxy)cyclohexyl]-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);bis(3-(4-methoxycyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine.
What is the SMILES notation for 3-(4,4-difluorocyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(3-[4-(difluoromethoxy)cyclohexyl]-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);bis(3-(4-methoxycyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine?
The canonical SMILES for 3-(4,4-difluorocyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(3-[4-(difluoromethoxy)cyclohexyl]-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);bis(3-(4-methoxycyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine is COC1CCC(c2nn(C)c3cnc(Nc4cn5ncnc5cc4C)nc23)CC1.COC1CCC(c2nn(C)c3cnc(Nc4cn5ncnc5cc4C)nc23)CC1.Cc1cc2ncnn2cc1Nc1ncc2c(n1)c(C1CCC(F)(F)CC1)nn2C.Cc1cc2ncnn2cc1Nc1ncc2c(n1)c(C1CCC(OC(F)F)CC1)nn2C.Cc1cc2ncnn2cc1Nc1ncc2c(n1)c(C1CCC(OC(F)F)CC1)nn2C.Cc1cc2ncnn2cc1Nc1ncc2c(n1)c(C1CCOCC1)nn2C.
What is the InChIKey of 3-(4,4-difluorocyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(3-[4-(difluoromethoxy)cyclohexyl]-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);bis(3-(4-methoxycyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine?
The InChIKey is KDLHHHBSSOEJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H22F2N8O.2C20H24N8O.C19H20F2N8.C18H20N8O/c2*1-11-7-16-24-10-25-30(16)9-14(11)26-20-23-8-15-18(27-20)17(28-29(15)2)12-3-5-13(6-4-12)31-19(21)22;2*1-12-8-17-22-11-23-28(17)10-15(12)24-20-21-9-16-19(25-20)18(26-27(16)2)13-4-6-14(29-3)7-5-13;1-11-7-15-23-10-24-29(15)9-13(11)25-18-22-8-14-17(26-18)16(27-28(14)2)12-3-5-19(20,21)6-4-12;1-11-7-15-20-10-21-26(15)9-13(11)22-18-19-8-14-17(23-18)16(24-25(14)2)12-3-5-27-6-4-12/h2*7-10,12-13,19H,3-6H2,1-2H3,(H,23,26,27);2*8-11,13-14H,4-7H2,1-3H3,(H,21,24,25);7-10,12H,3-6H2,1-2H3,(H,22,25,26);7-10,12H,3-6H2,1-2H3,(H,19,22,23).
What are the key properties of 3-(4,4-difluorocyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(3-[4-(difluoromethoxy)cyclohexyl]-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);bis(3-(4-methoxycyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine?
3-(4,4-difluorocyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(3-[4-(difluoromethoxy)cyclohexyl]-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);bis(3-(4-methoxycyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine has a molecular weight of 2404.66 g/mol, XLogP of 19.81, 24 rotatable bonds, 6 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-difluorocyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine;bis(3-[4-(difluoromethoxy)cyclohexyl]-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);bis(3-(4-methoxycyclohexyl)-1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[4,3-d]pyrimidin-5-amine);1-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidin-5-amine is sourced from PubChem (CID 167604097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).