N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methyl-2-phenylpiperazin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3-phenylmorpholin-4-yl)pyrimidin-4-amine

C103H114F4N32O — CID 157482599

IUPACN-(5-cyclopropyl-1-ethylpyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methyl-2-phenylpiperazin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3-phenylmorpholin-4-yl)pyrimidin-4-amine
SMILESCCn1nc(Nc2cc(N3CCCC3c3ccc(F)cc3)ncn2)cc1C1CC1.CN1CCN(c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)C(c2ccccc2)C1.Fc1ccc(C2CCCN2c2ncnc(Nc3cc(C4CC4)[nH]n3)c2F)cc1.Nc1nc(Nc2cc(C3CC3)[nH]n2)cc(N2CCCC2c2ccc(F)cc2)n1.c1ccc(C2COCCN2c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)cc1
InChIInChI=1S/C22H25FN6.C21H25N7.C20H20F2N6.C20H22FN7.C20H22N6O/c1-2-29-19(16-5-6-16)12-21(27-29)26-20-13-22(25-14-24-20)28-11-3-4-18(28)15-7-9-17(23)10-8-15;1-27-9-10-28(18(13-27)16-5-3-2-4-6-16)21-12-19(22-14-23-21)24-20-11-17(25-26-20)15-7-8-15;21-14-7-5-13(6-8-14)16-2-1-9-28(16)20-18(22)19(23-11-24-20)25-17-10-15(26-27-17)12-3-4-12;21-14-7-5-13(6-8-14)16-2-1-9-28(16)19-11-17(24-20(22)25-19)23-18-10-15(26-27-18)12-3-4-12;1-2-4-15(5-3-1)17-12-27-9-8-26(17)20-11-18(21-13-22-20)23-19-10-16(24-25-19)14-6-7-14/h7-10,12-14,16,18H,2-6,11H2,1H3,(H,24,25,26,27);2-6,11-12,14-15,18H,7-10,13H2,1H3,(H2,22,23,24,25,26);5-8,10-12,16H,1-4,9H2,(H2,23,24,25,26,27);5-8,10-12,16H,1-4,9H2,(H4,22,23,24,25,26,27);1-5,10-11,13-14,17H,6-9,12H2,(H2,21,22,23,24,25)
InChIKeyBWIHNZDQVQOWAP-UHFFFAOYSA-N
MW1892.26 g/mol
LogP19.83
Rot. Bonds26

About N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methyl-2-phenylpiperazin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3-phenylmorpholin-4-yl)pyrimidin-4-amine

N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methyl-2-phenylpiperazin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3-phenylmorpholin-4-yl)pyrimidin-4-amine (PubChem CID 157482599) has the molecular formula C103H114F4N32O and a molecular weight of 1892.26 g/mol. Its IUPAC name is N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methyl-2-phenylpiperazin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3-phenylmorpholin-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1-ethylpyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methyl-2-phenylpiperazin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3-phenylmorpholin-4-yl)pyrimidin-4-amine
PubChem CID157482599
Molecular FormulaC103H114F4N32O
Molecular Weight1892.26 g/mol
Exact Mass1890.98
IUPAC NameN-(5-cyclopropyl-1-ethylpyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methyl-2-phenylpiperazin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3-phenylmorpholin-4-yl)pyrimidin-4-amine
SMILESCCn1nc(Nc2cc(N3CCCC3c3ccc(F)cc3)ncn2)cc1C1CC1.CN1CCN(c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)C(c2ccccc2)C1.Fc1ccc(C2CCCN2c2ncnc(Nc3cc(C4CC4)[nH]n3)c2F)cc1.Nc1nc(Nc2cc(C3CC3)[nH]n2)cc(N2CCCC2c2ccc(F)cc2)n1.c1ccc(C2COCCN2c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)cc1
InChIInChI=1S/C22H25FN6.C21H25N7.C20H20F2N6.C20H22FN7.C20H22N6O/c1-2-29-19(16-5-6-16)12-21(27-29)26-20-13-22(25-14-24-20)28-11-3-4-18(28)15-7-9-17(23)10-8-15;1-27-9-10-28(18(13-27)16-5-3-2-4-6-16)21-12-19(22-14-23-21)24-20-11-17(25-26-20)15-7-8-15;21-14-7-5-13(6-8-14)16-2-1-9-28(16)20-18(22)19(23-11-24-20)25-17-10-15(26-27-17)12-3-4-12;21-14-7-5-13(6-8-14)16-2-1-9-28(16)19-11-17(24-20(22)25-19)23-18-10-15(26-27-18)12-3-4-12;1-2-4-15(5-3-1)17-12-27-9-8-26(17)20-11-18(21-13-22-20)23-19-10-16(24-25-19)14-6-7-14/h7-10,12-14,16,18H,2-6,11H2,1H3,(H,24,25,26,27);2-6,11-12,14-15,18H,7-10,13H2,1H3,(H2,22,23,24,25,26);5-8,10-12,16H,1-4,9H2,(H2,23,24,25,26,27);5-8,10-12,16H,1-4,9H2,(H4,22,23,24,25,26,27);1-5,10-11,13-14,17H,6-9,12H2,(H2,21,22,23,24,25)
InChIKeyBWIHNZDQVQOWAP-UHFFFAOYSA-N
XLogP19.83
TPSA376.28 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds26
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001892.26
LogP ≤ 519.83
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Analyze N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methyl-2-phenylpiperazin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3-phenylmorpholin-4-yl)pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[6-but-3-enyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-ethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;5-fluoro-N-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(3-morpholin-4-ylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 160435668
3,3-difluoro-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;(3R)-3-fluoro-N-[(1R)-3-[[5-fluoro-2-(5-fluoro-1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide;N-[(1R)-3-[[5-fluoro-2-(5-fluoro-1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]methyl]cyclohexyl]morpholine-4-carboxamide;(2S)-N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-2-methylpyrrolidine-1-carboxamide;N-[(1R,3S)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]piperidine-1-carboxamide;N-[(1R)-3-[[5-fluoro-2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrimidin-4-yl]methyl]cyclohexyl]pyrrolidine-1-carboxamide
CID 160957594
(3S)-N-[[6-[1-[4-[2-[4-[2-[3-[2-[2-[4-[6-[[[(1R)-1-cyclobutylethyl]amino]methyl]-3-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]-6-cyclopropyl-4-pyridinyl]-5-fluorophenyl]-1,2,4-triazol-4-yl]ethyl]-1,2,4-triazol-3-yl]-4-fluorophenyl]-6-cyclopropyl-2-pyridinyl]pyrazol-4-yl]-5-(trifluoromethyl)-2-pyridinyl]methyl]oxolan-3-amine
CID 177368168
ethane;N'-ethyl-N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]-N'-methylethane-1,2-diamine;2-[(4-fluorophenyl)-morpholin-4-ylmethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[(4-fluorophenyl)-pyrrolidin-1-ylmethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 143921359
1-fluoro-3-propan-2-ylbenzene;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 157056603
6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,5-difluorophenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 157210530
2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]-2-(4-fluorophenyl)ethanol;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(2,5-difluorophenyl)ethyl]-2-N-methyl-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(2,5-difluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methoxy-1-phenylethyl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-piperidin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
CID 157261966
5-tert-butylpyrimidine;1-fluoro-3-propan-2-ylbenzene;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyrrolidine;4-propan-2-yl-1H-1,2,4-triazol-4-ium
CID 157323304
6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-[1-(oxan-4-yl)pyrazol-3-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-(2-phenylpiperidin-1-yl)pyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine
CID 157371015
4-N-[1-(4-chlorophenyl)ethyl]-6-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[3-(4-fluorophenyl)oxetan-3-yl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(4-fluorophenyl)-(oxolan-3-yl)methyl]pyrimidine-4,6-diamine
CID 157422878
tert-butyl 4-[3-[[6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]-1H-pyrazol-5-yl]piperidine-1-carboxylate;N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-N-(5-piperidin-4-yl-1H-pyrazol-3-yl)pyrimidin-4-amine;N-[6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]pyrimidin-4-yl]-1H-indazol-3-amine
CID 157604678
4-N-(5-cyclobutyl-1H-pyrazol-3-yl)-6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;6-cyclopropyl-4-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-2-N-[1-(2,4-difluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-methyl-1-(oxan-4-yl)pyrazol-3-yl]-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;6-cyclopropyl-2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine
CID 157615098

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methyl-2-phenylpiperazin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3-phenylmorpholin-4-yl)pyrimidin-4-amine?
The IUPAC name of N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methyl-2-phenylpiperazin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3-phenylmorpholin-4-yl)pyrimidin-4-amine (CID 157482599) is N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methyl-2-phenylpiperazin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3-phenylmorpholin-4-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methyl-2-phenylpiperazin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3-phenylmorpholin-4-yl)pyrimidin-4-amine?
The canonical SMILES for N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methyl-2-phenylpiperazin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3-phenylmorpholin-4-yl)pyrimidin-4-amine is CCn1nc(Nc2cc(N3CCCC3c3ccc(F)cc3)ncn2)cc1C1CC1.CN1CCN(c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)C(c2ccccc2)C1.Fc1ccc(C2CCCN2c2ncnc(Nc3cc(C4CC4)[nH]n3)c2F)cc1.Nc1nc(Nc2cc(C3CC3)[nH]n2)cc(N2CCCC2c2ccc(F)cc2)n1.c1ccc(C2COCCN2c2cc(Nc3cc(C4CC4)[nH]n3)ncn2)cc1.
What is the InChIKey of N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methyl-2-phenylpiperazin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3-phenylmorpholin-4-yl)pyrimidin-4-amine?
The InChIKey is BWIHNZDQVQOWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6.C21H25N7.C20H20F2N6.C20H22FN7.C20H22N6O/c1-2-29-19(16-5-6-16)12-21(27-29)26-20-13-22(25-14-24-20)28-11-3-4-18(28)15-7-9-17(23)10-8-15;1-27-9-10-28(18(13-27)16-5-3-2-4-6-16)21-12-19(22-14-23-21)24-20-11-17(25-26-20)15-7-8-15;21-14-7-5-13(6-8-14)16-2-1-9-28(16)20-18(22)19(23-11-24-20)25-17-10-15(26-27-17)12-3-4-12;21-14-7-5-13(6-8-14)16-2-1-9-28(16)19-11-17(24-20(22)25-19)23-18-10-15(26-27-18)12-3-4-12;1-2-4-15(5-3-1)17-12-27-9-8-26(17)20-11-18(21-13-22-20)23-19-10-16(24-25-19)14-6-7-14/h7-10,12-14,16,18H,2-6,11H2,1H3,(H,24,25,26,27);2-6,11-12,14-15,18H,7-10,13H2,1H3,(H2,22,23,24,25,26);5-8,10-12,16H,1-4,9H2,(H2,23,24,25,26,27);5-8,10-12,16H,1-4,9H2,(H4,22,23,24,25,26,27);1-5,10-11,13-14,17H,6-9,12H2,(H2,21,22,23,24,25).
What are the key properties of N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methyl-2-phenylpiperazin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3-phenylmorpholin-4-yl)pyrimidin-4-amine?
N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methyl-2-phenylpiperazin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3-phenylmorpholin-4-yl)pyrimidin-4-amine has a molecular weight of 1892.26 g/mol, XLogP of 19.83, 26 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methyl-2-phenylpiperazin-1-yl)pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(3-phenylmorpholin-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 157482599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).