(1R)-1-[2-[4-[5-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-2,2-difluoro-1-(4-fluorophenyl)ethanamine;(1S)-1-[2-[4-[5-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-2,2-difluoro-1-(4-fluorophenyl)ethanamine;(1S)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanamine;(1R)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanamine;(1R)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanol

C130H122Cl2F15N49O — CID 159472475

IUPAC(1R)-1-[2-[4-[5-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-2,2-difluoro-1-(4-fluorophenyl)ethanamine;(1S)-1-[2-[4-[5-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-2,2-difluoro-1-(4-fluorophenyl)ethanamine;(1S)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanamine;(1R)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanamine;(1R)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanol
SMILESCn1cc(-c2cc3c(N4CCN(c5ncc([C@@](C)(N)c6c(F)cc(F)cc6F)cn5)CC4)ncnn3c2)cn1.Cn1cc(-c2cc3c(N4CCN(c5ncc([C@@](C)(O)c6c(F)cc(F)cc6F)cn5)CC4)ncnn3c2)cn1.Cn1cc(-c2cc3c(N4CCN(c5ncc([C@](C)(N)c6c(F)cc(F)cc6F)cn5)CC4)ncnn3c2)cn1.Cn1cc(-c2cn3ncnc(N4CCN(c5ncc([C@@](N)(c6ccc(F)cc6)C(F)F)cn5)CC4)c3c2Cl)cn1.Cn1cc(-c2cn3ncnc(N4CCN(c5ncc([C@](N)(c6ccc(F)cc6)C(F)F)cn5)CC4)c3c2Cl)cn1
InChIInChI=1S/2C26H24ClF3N10.2C26H25F3N10.C26H24F3N9O/c2*1-37-13-16(10-35-37)20-14-40-22(21(20)27)23(34-15-36-40)38-6-8-39(9-7-38)25-32-11-18(12-33-25)26(31,24(29)30)17-2-4-19(28)5-3-17;2*1-26(30,23-20(28)8-19(27)9-21(23)29)18-11-31-25(32-12-18)38-5-3-37(4-6-38)24-22-7-16(14-39(22)35-15-33-24)17-10-34-36(2)13-17;1-26(39,23-20(28)8-19(27)9-21(23)29)18-11-30-25(31-12-18)37-5-3-36(4-6-37)24-22-7-16(14-38(22)34-15-32-24)17-10-33-35(2)13-17/h2*2-5,10-15,24H,6-9,31H2,1H3;2*7-15H,3-6,30H2,1-2H3;7-15,39H,3-6H2,1-2H3/t5*26-/m10101/s1
InChIKeyLVZAGRLDAKNPRS-NZQSARATSA-N
MW2742.62 g/mol
LogP15.70
Rot. Bonds27

About (1R)-1-[2-[4-[5-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-2,2-difluoro-1-(4-fluorophenyl)ethanamine;(1S)-1-[2-[4-[5-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-2,2-difluoro-1-(4-fluorophenyl)ethanamine;(1S)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanamine;(1R)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanamine;(1R)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanol

(1R)-1-[2-[4-[5-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-2,2-difluoro-1-(4-fluorophenyl)ethanamine;(1S)-1-[2-[4-[5-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-2,2-difluoro-1-(4-fluorophenyl)ethanamine;(1S)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanamine;(1R)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanamine;(1R)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanol (PubChem CID 159472475) has the molecular formula C130H122Cl2F15N49O and a molecular weight of 2742.62 g/mol. Its IUPAC name is (1R)-1-[2-[4-[5-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-2,2-difluoro-1-(4-fluorophenyl)ethanamine;(1S)-1-[2-[4-[5-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-2,2-difluoro-1-(4-fluorophenyl)ethanamine;(1S)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanamine;(1R)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanamine;(1R)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[4-[5-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-2,2-difluoro-1-(4-fluorophenyl)ethanamine;(1S)-1-[2-[4-[5-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-2,2-difluoro-1-(4-fluorophenyl)ethanamine;(1S)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanamine;(1R)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanamine;(1R)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanol
PubChem CID159472475
Molecular FormulaC130H122Cl2F15N49O
Molecular Weight2742.62 g/mol
Exact Mass2740.01
IUPAC Name(1R)-1-[2-[4-[5-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-2,2-difluoro-1-(4-fluorophenyl)ethanamine;(1S)-1-[2-[4-[5-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-2,2-difluoro-1-(4-fluorophenyl)ethanamine;(1S)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanamine;(1R)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanamine;(1R)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanol
SMILESCn1cc(-c2cc3c(N4CCN(c5ncc([C@@](C)(N)c6c(F)cc(F)cc6F)cn5)CC4)ncnn3c2)cn1.Cn1cc(-c2cc3c(N4CCN(c5ncc([C@@](C)(O)c6c(F)cc(F)cc6F)cn5)CC4)ncnn3c2)cn1.Cn1cc(-c2cc3c(N4CCN(c5ncc([C@](C)(N)c6c(F)cc(F)cc6F)cn5)CC4)ncnn3c2)cn1.Cn1cc(-c2cn3ncnc(N4CCN(c5ncc([C@@](N)(c6ccc(F)cc6)C(F)F)cn5)CC4)c3c2Cl)cn1.Cn1cc(-c2cn3ncnc(N4CCN(c5ncc([C@](N)(c6ccc(F)cc6)C(F)F)cn5)CC4)c3c2Cl)cn1
InChIInChI=1S/2C26H24ClF3N10.2C26H25F3N10.C26H24F3N9O/c2*1-37-13-16(10-35-37)20-14-40-22(21(20)27)23(34-15-36-40)38-6-8-39(9-7-38)25-32-11-18(12-33-25)26(31,24(29)30)17-2-4-19(28)5-3-17;2*1-26(30,23-20(28)8-19(27)9-21(23)29)18-11-31-25(32-12-18)38-5-3-37(4-6-38)24-22-7-16(14-39(22)35-15-33-24)17-10-34-36(2)13-17;1-26(39,23-20(28)8-19(27)9-21(23)29)18-11-30-25(31-12-18)37-5-3-36(4-6-37)24-22-7-16(14-38(22)34-15-32-24)17-10-33-35(2)13-17/h2*2-5,10-15,24H,6-9,31H2,1H3;2*7-15H,3-6,30H2,1-2H3;7-15,39H,3-6H2,1-2H3/t5*26-/m10101/s1
InChIKeyLVZAGRLDAKNPRS-NZQSARATSA-N
XLogP15.70
TPSA525.66 Ų
H-Bond Donors5
H-Bond Acceptors50
Rotatable Bonds27
Heavy Atoms197
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002742.62
LogP ≤ 515.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1050

Analyze (1R)-1-[2-[4-[5-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-2,2-difluoro-1-(4-fluorophenyl)ethanamine;(1S)-1-[2-[4-[5-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-2,2-difluoro-1-(4-fluorophenyl)ethanamine;(1S)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanamine;(1R)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanamine;(1R)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[4-[5-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-2,2-difluoro-1-(4-fluorophenyl)ethanamine;(1S)-1-[2-[4-[5-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-2,2-difluoro-1-(4-fluorophenyl)ethanamine;(1S)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanamine;(1R)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanamine;(1R)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanol?
The IUPAC name of (1R)-1-[2-[4-[5-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-2,2-difluoro-1-(4-fluorophenyl)ethanamine;(1S)-1-[2-[4-[5-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-2,2-difluoro-1-(4-fluorophenyl)ethanamine;(1S)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanamine;(1R)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanamine;(1R)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanol (CID 159472475) is (1R)-1-[2-[4-[5-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-2,2-difluoro-1-(4-fluorophenyl)ethanamine;(1S)-1-[2-[4-[5-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-2,2-difluoro-1-(4-fluorophenyl)ethanamine;(1S)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanamine;(1R)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanamine;(1R)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanol.
What is the SMILES notation for (1R)-1-[2-[4-[5-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-2,2-difluoro-1-(4-fluorophenyl)ethanamine;(1S)-1-[2-[4-[5-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-2,2-difluoro-1-(4-fluorophenyl)ethanamine;(1S)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanamine;(1R)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanamine;(1R)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanol?
The canonical SMILES for (1R)-1-[2-[4-[5-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-2,2-difluoro-1-(4-fluorophenyl)ethanamine;(1S)-1-[2-[4-[5-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-2,2-difluoro-1-(4-fluorophenyl)ethanamine;(1S)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanamine;(1R)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanamine;(1R)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanol is Cn1cc(-c2cc3c(N4CCN(c5ncc([C@@](C)(N)c6c(F)cc(F)cc6F)cn5)CC4)ncnn3c2)cn1.Cn1cc(-c2cc3c(N4CCN(c5ncc([C@@](C)(O)c6c(F)cc(F)cc6F)cn5)CC4)ncnn3c2)cn1.Cn1cc(-c2cc3c(N4CCN(c5ncc([C@](C)(N)c6c(F)cc(F)cc6F)cn5)CC4)ncnn3c2)cn1.Cn1cc(-c2cn3ncnc(N4CCN(c5ncc([C@@](N)(c6ccc(F)cc6)C(F)F)cn5)CC4)c3c2Cl)cn1.Cn1cc(-c2cn3ncnc(N4CCN(c5ncc([C@](N)(c6ccc(F)cc6)C(F)F)cn5)CC4)c3c2Cl)cn1.
What is the InChIKey of (1R)-1-[2-[4-[5-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-2,2-difluoro-1-(4-fluorophenyl)ethanamine;(1S)-1-[2-[4-[5-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-2,2-difluoro-1-(4-fluorophenyl)ethanamine;(1S)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanamine;(1R)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanamine;(1R)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanol?
The InChIKey is LVZAGRLDAKNPRS-NZQSARATSA-N. The full InChI is InChI=1S/2C26H24ClF3N10.2C26H25F3N10.C26H24F3N9O/c2*1-37-13-16(10-35-37)20-14-40-22(21(20)27)23(34-15-36-40)38-6-8-39(9-7-38)25-32-11-18(12-33-25)26(31,24(29)30)17-2-4-19(28)5-3-17;2*1-26(30,23-20(28)8-19(27)9-21(23)29)18-11-31-25(32-12-18)38-5-3-37(4-6-38)24-22-7-16(14-39(22)35-15-33-24)17-10-34-36(2)13-17;1-26(39,23-20(28)8-19(27)9-21(23)29)18-11-30-25(31-12-18)37-5-3-36(4-6-37)24-22-7-16(14-38(22)34-15-32-24)17-10-33-35(2)13-17/h2*2-5,10-15,24H,6-9,31H2,1H3;2*7-15H,3-6,30H2,1-2H3;7-15,39H,3-6H2,1-2H3/t5*26-/m10101/s1.
What are the key properties of (1R)-1-[2-[4-[5-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-2,2-difluoro-1-(4-fluorophenyl)ethanamine;(1S)-1-[2-[4-[5-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-2,2-difluoro-1-(4-fluorophenyl)ethanamine;(1S)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanamine;(1R)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanamine;(1R)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanol?
(1R)-1-[2-[4-[5-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-2,2-difluoro-1-(4-fluorophenyl)ethanamine;(1S)-1-[2-[4-[5-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-2,2-difluoro-1-(4-fluorophenyl)ethanamine;(1S)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanamine;(1R)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanamine;(1R)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanol has a molecular weight of 2742.62 g/mol, XLogP of 15.70, 27 rotatable bonds, 5 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[4-[5-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-2,2-difluoro-1-(4-fluorophenyl)ethanamine;(1S)-1-[2-[4-[5-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-2,2-difluoro-1-(4-fluorophenyl)ethanamine;(1S)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanamine;(1R)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanamine;(1R)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-(2,4,6-trifluorophenyl)ethanol is sourced from PubChem (CID 159472475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).