5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-4-(oxolan-2-ylmethoxy)pyrimidine;(3S,4R)-4-[[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-3-ol;5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine

C92H102N30O4 — CID 159725973

IUPAC5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-4-(oxolan-2-ylmethoxy)pyrimidine;(3S,4R)-4-[[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-3-ol;5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NCC4CNCCO4)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NC[C@H]4CCNC[C@H]4O)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(N[C@H]4CCNC4)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(OCC4CCCO4)n3)c2)cn1
InChIInChI=1S/C24H28N8O.C23H26N8O.C23H24N6O2.C22H24N8/c1-31-9-7-21(30-31)20-13-27-23(29-24(20)26-11-18-6-8-25-14-22(18)33)17-5-3-4-16(10-17)19-12-28-32(2)15-19;1-30-8-6-21(29-30)20-14-26-22(28-23(20)25-13-19-12-24-7-9-32-19)17-5-3-4-16(10-17)18-11-27-31(2)15-18;1-28-13-18(10-25-28)16-5-3-6-17(9-16)22-24-12-21(19-11-26-29(2)14-19)23(27-22)31-15-20-7-4-8-30-20;1-29-9-7-20(28-29)19-13-24-21(27-22(19)26-18-6-8-23-12-18)16-5-3-4-15(10-16)17-11-25-30(2)14-17/h3-5,7,9-10,12-13,15,18,22,25,33H,6,8,11,14H2,1-2H3,(H,26,27,29);3-6,8,10-11,14-15,19,24H,7,9,12-13H2,1-2H3,(H,25,26,28);3,5-6,9-14,20H,4,7-8,15H2,1-2H3;3-5,7,9-11,13-14,18,23H,6,8,12H2,1-2H3,(H,24,26,27)/t18-,22-;;;18-/m1..0/s1
InChIKeyNAQFOXGBKCSVLV-XRIRJOJCSA-N
MW1692.03 g/mol
LogP10.89
Rot. Bonds23

About 5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-4-(oxolan-2-ylmethoxy)pyrimidine;(3S,4R)-4-[[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-3-ol;5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine

5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-4-(oxolan-2-ylmethoxy)pyrimidine;(3S,4R)-4-[[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-3-ol;5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine (PubChem CID 159725973) has the molecular formula C92H102N30O4 and a molecular weight of 1692.03 g/mol. Its IUPAC name is 5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-4-(oxolan-2-ylmethoxy)pyrimidine;(3S,4R)-4-[[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-3-ol;5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-4-(oxolan-2-ylmethoxy)pyrimidine;(3S,4R)-4-[[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-3-ol;5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine
PubChem CID159725973
Molecular FormulaC92H102N30O4
Molecular Weight1692.03 g/mol
Exact Mass1690.87
IUPAC Name5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-4-(oxolan-2-ylmethoxy)pyrimidine;(3S,4R)-4-[[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-3-ol;5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NCC4CNCCO4)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NC[C@H]4CCNC[C@H]4O)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(N[C@H]4CCNC4)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(OCC4CCCO4)n3)c2)cn1
InChIInChI=1S/C24H28N8O.C23H26N8O.C23H24N6O2.C22H24N8/c1-31-9-7-21(30-31)20-13-27-23(29-24(20)26-11-18-6-8-25-14-22(18)33)17-5-3-4-16(10-17)19-12-28-32(2)15-19;1-30-8-6-21(29-30)20-14-26-22(28-23(20)25-13-19-12-24-7-9-32-19)17-5-3-4-16(10-17)18-11-27-31(2)15-18;1-28-13-18(10-25-28)16-5-3-6-17(9-16)22-24-12-21(19-11-26-29(2)14-19)23(27-22)31-15-20-7-4-8-30-20;1-29-9-7-20(28-29)19-13-24-21(27-22(19)26-18-6-8-23-12-18)16-5-3-4-15(10-16)17-11-25-30(2)14-17/h3-5,7,9-10,12-13,15,18,22,25,33H,6,8,11,14H2,1-2H3,(H,26,27,29);3-6,8,10-11,14-15,19,24H,7,9,12-13H2,1-2H3,(H,25,26,28);3,5-6,9-14,20H,4,7-8,15H2,1-2H3;3-5,7,9-11,13-14,18,23H,6,8,12H2,1-2H3,(H,24,26,27)/t18-,22-;;;18-/m1..0/s1
InChIKeyNAQFOXGBKCSVLV-XRIRJOJCSA-N
XLogP10.89
TPSA365.78 Ų
H-Bond Donors7
H-Bond Acceptors34
Rotatable Bonds23
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001692.03
LogP ≤ 510.89
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1034

Analyze 5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-4-(oxolan-2-ylmethoxy)pyrimidine;(3S,4R)-4-[[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-3-ol;5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine with MolForge

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Related Compounds

[(2R,4S)-4-amino-1-[6-[4-[2-[6-fluoro-3-[2-(2-fluoro-6-methoxyphenyl)-6-[1-[6-(2-phenylethoxy)-2-pyridinyl]pyrazol-4-yl]pyrimidin-4-yl]-2-methoxyphenyl]pyrimidin-4-yl]pyrazol-1-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 171517281
(3R,12S)-3,12-diethyl-6-fluoro-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(3R)-6-fluoro-3-(2-fluoroethyl)-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;(3R,11S)-6-fluoro-11-(methoxymethyl)-3-methyl-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene;2-[(3R)-6-fluoro-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-3-yl]ethanol;2-[(3S)-6-fluoro-14-methylidene-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-3-yl]propan-2-ol
CID 157193546
(1S,2R,6R)-2-amino-6-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclohexan-1-ol;(1S,2R,6R)-2-amino-6-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]oxycyclohexan-1-ol;(1R,2S,3R)-3-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclohexane-1,2-diol;(1R,2S,3R)-3-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclohexane-1,2-diol
CID 157199030
5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-4-(oxolan-2-ylmethoxy)pyrimidine;5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(oxolan-3-yl)pyrimidin-4-amine;(2S)-3-[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propane-1,2-diol
CID 157554278
3-N-[5-amino-6-[6,7-dimethyl-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]-6,7-dimethyl-2-N-[3-(4-methylpiperazin-1-yl)propyl]pyrazolo[1,5-a]pyridine-2,3-diamine;2-[3-[[5-amino-6-[2-(2-hydroxyethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]amino]-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl]oxyethanol;3-N-[5-amino-6-[2-(3-imidazol-1-ylpropylamino)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-yl]imino-3-imino-2-pyridinyl]-2-N-(3-imidazol-1-ylpropyl)-6,7-dimethylpyrazolo[1,5-a]pyridine-2,3-diamine
CID 157582515
N,N-dimethyl-2-[[3-[12-(1-methylpyrazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-4-pyridinyl]oxy]ethanamine;4-[4-(1-ethylpiperidin-4-yl)oxy-3-pyridinyl]-12-(1-methylpyrazol-4-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(piperidin-1-ylmethyl)phenyl]-4-pyrazin-2-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(piperidin-1-ylmethyl)phenyl]-4-pyridazin-4-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(piperidin-1-ylmethyl)phenyl]-4-pyrimidin-5-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;5-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]pyrimidin-2-amine
CID 157939787
6-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;4-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(2-morpholin-4-ylethyl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;N-(5-methyl-1H-pyrazol-3-yl)-6-(oxan-4-yloxy)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine;6-N-(5-methyl-1H-pyrazol-3-yl)-4-N-(oxolan-2-yl)-2-[(E)-2-phenylethenyl]pyrimidine-4,6-diamine;4-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]-6-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine;N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 158215695
2-[4-(3-amino-6,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)piperazin-1-yl]ethanol;2-[2-(dimethylamino)ethoxy]-6,7-dimethylpyrazolo[1,5-a]pyridin-3-amine;2-N-[3-(dimethylamino)propyl]-6,7-dimethylpyrazolo[1,5-a]pyridine-2,3-diamine;2-[3-(dimethylamino)pyrrolidin-1-yl]-6,7-dimethylpyrazolo[1,5-a]pyridin-3-amine;2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethoxy]-6,7-dimethylpyrazolo[1,5-a]pyridin-3-amine;2-(2-imidazol-1-ylethoxy)-6,7-dimethylpyrazolo[1,5-a]pyridin-3-amine;2-methoxy-6,7-dimethylpyrazolo[1,5-a]pyridin-3-amine
CID 158228552
1-Amino-3-[3-[4-[methyl(oxan-4-ylmethyl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-[3-[4-(heptylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-(methylamino)-3-[3-[4-[methyl(oxan-4-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-[methyl(pyridin-2-ylmethyl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-(oxan-4-ylmethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol
CID 158288395
N-[(4-isocyanocyclohexyl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-(4-isocyanocyclohexyl)-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;2-[(1R,3R)-3-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclopentyl]propan-2-ol;2-[4-[[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]cyclohexyl]propan-2-ol;2-[4-[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]oxycyclohexyl]propan-2-ol;4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;2-[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol
CID 158324689
1-amino-3-[3-[4-[methyl(oxan-4-yl)amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-amino-3-[3-[1-propan-2-yl-4-(pyridin-3-ylmethylamino)pyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-amino-3-[3-[1-propan-2-yl-4-(pyridin-4-ylmethylamino)pyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[4-(oxan-4-ylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol;1-(methylamino)-3-[3-[1-propan-2-yl-4-(2H-tetrazol-5-ylmethylamino)pyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol
CID 158827015
5-[(2R)-2-aminobutoxy]-N-[(4-phenylphenyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;(2R)-2-[[7-[(4-phenylphenyl)methylamino]-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]butan-1-ol;(2S)-2-[[7-[(4-phenylphenyl)methylamino]-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl]amino]butan-1-ol;(2S,3R)-2-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]butane-1,3-diol;(2S)-3-[[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]imidazo[4,5-b]pyridin-5-yl]amino]propane-1,2-diol
CID 158953512

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-4-(oxolan-2-ylmethoxy)pyrimidine;(3S,4R)-4-[[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-3-ol;5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-4-(oxolan-2-ylmethoxy)pyrimidine;(3S,4R)-4-[[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-3-ol;5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine (CID 159725973) is 5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-4-(oxolan-2-ylmethoxy)pyrimidine;(3S,4R)-4-[[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-3-ol;5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-4-(oxolan-2-ylmethoxy)pyrimidine;(3S,4R)-4-[[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-3-ol;5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-4-(oxolan-2-ylmethoxy)pyrimidine;(3S,4R)-4-[[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-3-ol;5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine is Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NCC4CNCCO4)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(NC[C@H]4CCNC[C@H]4O)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4ccn(C)n4)c(N[C@H]4CCNC4)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(OCC4CCCO4)n3)c2)cn1.
What is the InChIKey of 5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-4-(oxolan-2-ylmethoxy)pyrimidine;(3S,4R)-4-[[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-3-ol;5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine?
The InChIKey is NAQFOXGBKCSVLV-XRIRJOJCSA-N. The full InChI is InChI=1S/C24H28N8O.C23H26N8O.C23H24N6O2.C22H24N8/c1-31-9-7-21(30-31)20-13-27-23(29-24(20)26-11-18-6-8-25-14-22(18)33)17-5-3-4-16(10-17)19-12-28-32(2)15-19;1-30-8-6-21(29-30)20-14-26-22(28-23(20)25-13-19-12-24-7-9-32-19)17-5-3-4-16(10-17)18-11-27-31(2)15-18;1-28-13-18(10-25-28)16-5-3-6-17(9-16)22-24-12-21(19-11-26-29(2)14-19)23(27-22)31-15-20-7-4-8-30-20;1-29-9-7-20(28-29)19-13-24-21(27-22(19)26-18-6-8-23-12-18)16-5-3-4-15(10-16)17-11-25-30(2)14-17/h3-5,7,9-10,12-13,15,18,22,25,33H,6,8,11,14H2,1-2H3,(H,26,27,29);3-6,8,10-11,14-15,19,24H,7,9,12-13H2,1-2H3,(H,25,26,28);3,5-6,9-14,20H,4,7-8,15H2,1-2H3;3-5,7,9-11,13-14,18,23H,6,8,12H2,1-2H3,(H,24,26,27)/t18-,22-;;;18-/m1..0/s1.
What are the key properties of 5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-4-(oxolan-2-ylmethoxy)pyrimidine;(3S,4R)-4-[[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-3-ol;5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine?
5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-4-(oxolan-2-ylmethoxy)pyrimidine;(3S,4R)-4-[[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-3-ol;5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine has a molecular weight of 1692.03 g/mol, XLogP of 10.89, 23 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-4-(oxolan-2-ylmethoxy)pyrimidine;(3S,4R)-4-[[[5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-3-ol;5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 159725973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).