2-[4-[[[6-[cyclopropyl-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;2-[4-[[[6-[cyclopropyl-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]acetamide;methane

C78H101F5N24O6 — CID 160973774

IUPAC2-[4-[[[6-[cyclopropyl-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;2-[4-[[[6-[cyclopropyl-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]acetamide;methane
SMILESC.C.Cc1ccc(CN(c2ncnc(NCC3(c4ncon4)CCN(CC(N)=O)CC3)c2F)C2CC2)cc1.Cn1cc(-c2ccc(CN(c3ncnc(NCC4CCN(CC(N)=O)CC4O)c3F)C3CC3)c(F)c2)cn1.NC(=O)CN1CCC(CNc2ncnc(N(Cc3ccc(-n4cccn4)cc3F)C3CC3)c2F)C(O)C1
InChIInChI=1S/C26H32F2N8O2.C25H30F2N8O2.C25H31FN8O2.2CH4/c1-34-11-19(10-33-34)16-2-3-18(21(27)8-16)12-36(20-4-5-20)26-24(28)25(31-15-32-26)30-9-17-6-7-35(13-22(17)37)14-23(29)38;26-20-10-19(35-8-1-7-32-35)3-2-17(20)12-34(18-4-5-18)25-23(27)24(30-15-31-25)29-11-16-6-9-33(13-21(16)36)14-22(28)37;1-17-2-4-18(5-3-17)12-34(19-6-7-19)23-21(26)22(29-15-30-23)28-14-25(24-31-16-36-32-24)8-10-33(11-9-25)13-20(27)35;;/h2-3,8,10-11,15,17,20,22,37H,4-7,9,12-14H2,1H3,(H2,29,38)(H,30,31,32);1-3,7-8,10,15-16,18,21,36H,4-6,9,11-14H2,(H2,28,37)(H,29,30,31);2-5,15-16,19H,6-14H2,1H3,(H2,27,35)(H,28,29,30);2*1H4
InChIKeySYPCKEISEHSFFF-UHFFFAOYSA-N
MW1565.82 g/mol
LogP7.27
Rot. Bonds30

About 2-[4-[[[6-[cyclopropyl-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;2-[4-[[[6-[cyclopropyl-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]acetamide;methane

2-[4-[[[6-[cyclopropyl-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;2-[4-[[[6-[cyclopropyl-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]acetamide;methane (PubChem CID 160973774) has the molecular formula C78H101F5N24O6 and a molecular weight of 1565.82 g/mol. Its IUPAC name is 2-[4-[[[6-[cyclopropyl-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;2-[4-[[[6-[cyclopropyl-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]acetamide;methane.

Molecular Properties

Compound Name2-[4-[[[6-[cyclopropyl-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;2-[4-[[[6-[cyclopropyl-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]acetamide;methane
PubChem CID160973774
Molecular FormulaC78H101F5N24O6
Molecular Weight1565.82 g/mol
Exact Mass1564.83
IUPAC Name2-[4-[[[6-[cyclopropyl-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;2-[4-[[[6-[cyclopropyl-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]acetamide;methane
SMILESC.C.Cc1ccc(CN(c2ncnc(NCC3(c4ncon4)CCN(CC(N)=O)CC3)c2F)C2CC2)cc1.Cn1cc(-c2ccc(CN(c3ncnc(NCC4CCN(CC(N)=O)CC4O)c3F)C3CC3)c(F)c2)cn1.NC(=O)CN1CCC(CNc2ncnc(N(Cc3ccc(-n4cccn4)cc3F)C3CC3)c2F)C(O)C1
InChIInChI=1S/C26H32F2N8O2.C25H30F2N8O2.C25H31FN8O2.2CH4/c1-34-11-19(10-33-34)16-2-3-18(21(27)8-16)12-36(20-4-5-20)26-24(28)25(31-15-32-26)30-9-17-6-7-35(13-22(17)37)14-23(29)38;26-20-10-19(35-8-1-7-32-35)3-2-17(20)12-34(18-4-5-18)25-23(27)24(30-15-31-25)29-11-16-6-9-33(13-21(16)36)14-22(28)37;1-17-2-4-18(5-3-17)12-34(19-6-7-19)23-21(26)22(29-15-30-23)28-14-25(24-31-16-36-32-24)8-10-33(11-9-25)13-20(27)35;;/h2-3,8,10-11,15,17,20,22,37H,4-7,9,12-14H2,1H3,(H2,29,38)(H,30,31,32);1-3,7-8,10,15-16,18,21,36H,4-6,9,11-14H2,(H2,28,37)(H,29,30,31);2-5,15-16,19H,6-14H2,1H3,(H2,27,35)(H,28,29,30);2*1H4
InChIKeySYPCKEISEHSFFF-UHFFFAOYSA-N
XLogP7.27
TPSA377.16 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds30
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001565.82
LogP ≤ 57.27
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Analyze 2-[4-[[[6-[cyclopropyl-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;2-[4-[[[6-[cyclopropyl-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]acetamide;methane with MolForge

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Related Compounds

2-[4-[[[6-[Cyclopropyl-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[4-[[[6-[cyclopropyl-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[4-[[[6-[cyclopropyl-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[4-[[[6-[ethyl-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;methane
CID 159138611
2-[(3R,4R)-4-[[[6-[cyclopropyl-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4R)-4-[[[6-[cyclopropyl-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4R)-4-[[[6-[cyclopropyl-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4S)-4-[[[6-[ethyl-[(2-fluoro-4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4R)-4-[[[6-[ethyl-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;methane
CID 160560928
2-[(3R,4R)-4-[[4-[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[(3R,4R)-4-[[4-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]-3-hydroxypropanamide
CID 166771426
2-[4-[[4-[Cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide;2-[4-[[4-[cyclopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-3-hydroxypiperidin-1-yl]-3-hydroxypropanamide
CID 166771443
tert-butyl (3S,4S)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate;tert-butyl (3S,4S)-4-[[(5,6-difluoropyrimidin-4-yl)amino]methyl]-3-hydroxypiperidine-1-carboxylate;cis-(1R,2S)-2-[[(5,6-difluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol;2-[(3S,4S)-4-[[(5,6-difluoropyrimidin-4-yl)amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;2-[(3S,4S)-4-[[[6-[ethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;methane;N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine;4,5,6-trifluoropyrimidine
CID 158304424
2-[4-[3-[(1R)-1-[4-(5-amino-3-methylpyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;(3R)-1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-3-ol;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;5-[4-[(2S)-2-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine
CID 158465279
2-[4-[[[6-[Cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-(hydroxymethyl)piperidin-1-yl]-3-hydroxypropanamide;2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]-2,2-dideuterioacetamide;2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]-3-hydroxypropanamide;2-[4-[[[6-[cyclopropyl-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;methane
CID 158579005
2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-(hydroxymethyl)piperidin-1-yl]-3-hydroxypropanamide;2-[(3R,4R)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]-2,2-dideuterioacetamide;2-[(3S,4S)-4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]-3-hydroxypropanamide;2-[(3R,4R)-4-[[[6-[cyclopropyl-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;methane
CID 158579009
2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-(1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide;2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-(2H-triazol-4-yl)piperidin-1-yl]acetamide;2-[(3R,4R)-4-[[[6-[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;methane
CID 158826436
2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-(1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide;2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-(2H-triazol-4-yl)piperidin-1-yl]acetamide;2-[4-[[[6-[cyclopropyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;methane
CID 158826439
1-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol;5-[4-[(1R)-1-cyclobutyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1S)-1-cyclobutyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;2-[4-[3-[1-cyclopropyl-1-[4-[2-(ethylamino)pyrimidin-5-yl]phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 160045346
(3S,4S)-1-benzyl-4-[[[6-[cyclopropyl-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]piperidine-3,4-diol;6-N-[(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-4-N-cyclopropyl-5-fluoro-4-N-[(2-fluoro-4-iodophenyl)methyl]pyrimidine-4,6-diamine;6-N-[(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-4-N-cyclopropyl-5-fluoro-4-N-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]pyrimidine-4,6-diamine;cis-(1S,2S)-1-[[[6-[cyclopropyl-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]cyclohexane-1,2-diol;2-[(3S,4S)-4-[[[6-[cyclopropyl-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3,4-dihydroxypiperidin-1-yl]acetamide
CID 160058115

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[6-[cyclopropyl-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;2-[4-[[[6-[cyclopropyl-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]acetamide;methane?
The IUPAC name of 2-[4-[[[6-[cyclopropyl-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;2-[4-[[[6-[cyclopropyl-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]acetamide;methane (CID 160973774) is 2-[4-[[[6-[cyclopropyl-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;2-[4-[[[6-[cyclopropyl-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]acetamide;methane.
What is the SMILES notation for 2-[4-[[[6-[cyclopropyl-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;2-[4-[[[6-[cyclopropyl-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]acetamide;methane?
The canonical SMILES for 2-[4-[[[6-[cyclopropyl-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;2-[4-[[[6-[cyclopropyl-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]acetamide;methane is C.C.Cc1ccc(CN(c2ncnc(NCC3(c4ncon4)CCN(CC(N)=O)CC3)c2F)C2CC2)cc1.Cn1cc(-c2ccc(CN(c3ncnc(NCC4CCN(CC(N)=O)CC4O)c3F)C3CC3)c(F)c2)cn1.NC(=O)CN1CCC(CNc2ncnc(N(Cc3ccc(-n4cccn4)cc3F)C3CC3)c2F)C(O)C1.
What is the InChIKey of 2-[4-[[[6-[cyclopropyl-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;2-[4-[[[6-[cyclopropyl-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]acetamide;methane?
The InChIKey is SYPCKEISEHSFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N8O2.C25H30F2N8O2.C25H31FN8O2.2CH4/c1-34-11-19(10-33-34)16-2-3-18(21(27)8-16)12-36(20-4-5-20)26-24(28)25(31-15-32-26)30-9-17-6-7-35(13-22(17)37)14-23(29)38;26-20-10-19(35-8-1-7-32-35)3-2-17(20)12-34(18-4-5-18)25-23(27)24(30-15-31-25)29-11-16-6-9-33(13-21(16)36)14-22(28)37;1-17-2-4-18(5-3-17)12-34(19-6-7-19)23-21(26)22(29-15-30-23)28-14-25(24-31-16-36-32-24)8-10-33(11-9-25)13-20(27)35;;/h2-3,8,10-11,15,17,20,22,37H,4-7,9,12-14H2,1H3,(H2,29,38)(H,30,31,32);1-3,7-8,10,15-16,18,21,36H,4-6,9,11-14H2,(H2,28,37)(H,29,30,31);2-5,15-16,19H,6-14H2,1H3,(H2,27,35)(H,28,29,30);2*1H4.
What are the key properties of 2-[4-[[[6-[cyclopropyl-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;2-[4-[[[6-[cyclopropyl-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]acetamide;methane?
2-[4-[[[6-[cyclopropyl-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;2-[4-[[[6-[cyclopropyl-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]acetamide;methane has a molecular weight of 1565.82 g/mol, XLogP of 7.27, 30 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[6-[cyclopropyl-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;2-[4-[[[6-[cyclopropyl-[(2-fluoro-4-pyrazol-1-ylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-3-hydroxypiperidin-1-yl]acetamide;2-[4-[[[6-[cyclopropyl-[(4-methylphenyl)methyl]amino]-5-fluoropyrimidin-4-yl]amino]methyl]-4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]acetamide;methane is sourced from PubChem (CID 160973774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).