4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(3-methoxypropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-amino-4-[5-(3-hydroxy-3-methylbut-1-ynyl)-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-3-yl]pyrimidine-5-carbonitrile;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol

C128H134F9N31O12 — CID 159498904

IUPAC4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(3-methoxypropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-amino-4-[5-(3-hydroxy-3-methylbut-1-ynyl)-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-3-yl]pyrimidine-5-carbonitrile;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol
SMILESCC(C)(O)C#Cc1cc2c(-c3nc(N)ncc3C#N)cn(CC3CCOCC3)c2cn1.CC(C)(O)C#Cc1cc2c(-c3nc(N)ncc3C(F)(F)F)cn(CC(C)(C)O)c2cn1.CC(C)(O)C#Cc1cc2c(-c3nc(N)ncc3C(F)(F)F)cn(CC3CCOCC3)c2cn1.CC(C)(O)C#Cc1cc2c(-c3nc(N)ncc3F)cn(C3COC3)c2cn1.CC(C)(O)C#Cc1cc2c(-c3nc(N)ncc3F)cn(CC3CCOCC3)c2cn1.COCCCn1cc(-c2nc(N)ncc2F)c2cc(C#CC(C)(C)O)ncc21
InChIInChI=1S/C23H24F3N5O2.C23H24N6O2.C22H24FN5O2.C21H22F3N5O2.C20H22FN5O2.C19H18FN5O2/c1-22(2,32)6-3-15-9-16-17(20-18(23(24,25)26)10-29-21(27)30-20)13-31(19(16)11-28-15)12-14-4-7-33-8-5-14;1-23(2,30)6-3-17-9-18-19(21-16(10-24)11-27-22(25)28-21)14-29(20(18)12-26-17)13-15-4-7-31-8-5-15;1-22(2,29)6-3-15-9-16-17(20-18(23)10-26-21(24)27-20)13-28(19(16)11-25-15)12-14-4-7-30-8-5-14;1-19(2,30)6-5-12-7-13-14(10-29(11-20(3,4)31)16(13)9-26-12)17-15(21(22,23)24)8-27-18(25)28-17;1-20(2,27)6-5-13-9-14-15(18-16(21)10-24-19(22)25-18)12-26(7-4-8-28-3)17(14)11-23-13;1-19(2,26)4-3-11-5-13-14(17-15(20)6-23-18(21)24-17)8-25(12-9-27-10-12)16(13)7-22-11/h9-11,13-14,32H,4-5,7-8,12H2,1-2H3,(H2,27,29,30);9,11-12,14-15,30H,4-5,7-8,13H2,1-2H3,(H2,25,27,28);9-11,13-14,29H,4-5,7-8,12H2,1-2H3,(H2,24,26,27);7-10,30-31H,11H2,1-4H3,(H2,25,27,28);9-12,27H,4,7-8H2,1-3H3,(H2,22,24,25);5-8,12,26H,9-10H2,1-2H3,(H2,21,23,24)
InChIKeyLZDCZKLVHIMPBH-UHFFFAOYSA-N
MW2469.67 g/mol
LogP16.17
Rot. Bonds19

About 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(3-methoxypropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-amino-4-[5-(3-hydroxy-3-methylbut-1-ynyl)-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-3-yl]pyrimidine-5-carbonitrile;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol

4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(3-methoxypropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-amino-4-[5-(3-hydroxy-3-methylbut-1-ynyl)-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-3-yl]pyrimidine-5-carbonitrile;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol (PubChem CID 159498904) has the molecular formula C128H134F9N31O12 and a molecular weight of 2469.67 g/mol. Its IUPAC name is 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(3-methoxypropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-amino-4-[5-(3-hydroxy-3-methylbut-1-ynyl)-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-3-yl]pyrimidine-5-carbonitrile;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol.

Molecular Properties

Compound Name4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(3-methoxypropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-amino-4-[5-(3-hydroxy-3-methylbut-1-ynyl)-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-3-yl]pyrimidine-5-carbonitrile;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol
PubChem CID159498904
Molecular FormulaC128H134F9N31O12
Molecular Weight2469.67 g/mol
Exact Mass2468.07
IUPAC Name4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(3-methoxypropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-amino-4-[5-(3-hydroxy-3-methylbut-1-ynyl)-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-3-yl]pyrimidine-5-carbonitrile;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol
SMILESCC(C)(O)C#Cc1cc2c(-c3nc(N)ncc3C#N)cn(CC3CCOCC3)c2cn1.CC(C)(O)C#Cc1cc2c(-c3nc(N)ncc3C(F)(F)F)cn(CC(C)(C)O)c2cn1.CC(C)(O)C#Cc1cc2c(-c3nc(N)ncc3C(F)(F)F)cn(CC3CCOCC3)c2cn1.CC(C)(O)C#Cc1cc2c(-c3nc(N)ncc3F)cn(C3COC3)c2cn1.CC(C)(O)C#Cc1cc2c(-c3nc(N)ncc3F)cn(CC3CCOCC3)c2cn1.COCCCn1cc(-c2nc(N)ncc2F)c2cc(C#CC(C)(C)O)ncc21
InChIInChI=1S/C23H24F3N5O2.C23H24N6O2.C22H24FN5O2.C21H22F3N5O2.C20H22FN5O2.C19H18FN5O2/c1-22(2,32)6-3-15-9-16-17(20-18(23(24,25)26)10-29-21(27)30-20)13-31(19(16)11-28-15)12-14-4-7-33-8-5-14;1-23(2,30)6-3-17-9-18-19(21-16(10-24)11-27-22(25)28-21)14-29(20(18)12-26-17)13-15-4-7-31-8-5-15;1-22(2,29)6-3-15-9-16-17(20-18(23)10-26-21(24)27-20)13-28(19(16)11-25-15)12-14-4-7-30-8-5-14;1-19(2,30)6-5-12-7-13-14(10-29(11-20(3,4)31)16(13)9-26-12)17-15(21(22,23)24)8-27-18(25)28-17;1-20(2,27)6-5-13-9-14-15(18-16(21)10-24-19(22)25-18)12-26(7-4-8-28-3)17(14)11-23-13;1-19(2,26)4-3-11-5-13-14(17-15(20)6-23-18(21)24-17)8-25(12-9-27-10-12)16(13)7-22-11/h9-11,13-14,32H,4-5,7-8,12H2,1-2H3,(H2,27,29,30);9,11-12,14-15,30H,4-5,7-8,13H2,1-2H3,(H2,25,27,28);9-11,13-14,29H,4-5,7-8,12H2,1-2H3,(H2,24,26,27);7-10,30-31H,11H2,1-4H3,(H2,25,27,28);9-12,27H,4,7-8H2,1-3H3,(H2,22,24,25);5-8,12,26H,9-10H2,1-2H3,(H2,21,23,24)
InChIKeyLZDCZKLVHIMPBH-UHFFFAOYSA-N
XLogP16.17
TPSA629.27 Ų
H-Bond Donors13
H-Bond Acceptors43
Rotatable Bonds19
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002469.67
LogP ≤ 516.17
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(3-methoxypropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-amino-4-[5-(3-hydroxy-3-methylbut-1-ynyl)-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-3-yl]pyrimidine-5-carbonitrile;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(3-methoxypropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-amino-4-[5-(3-hydroxy-3-methylbut-1-ynyl)-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-3-yl]pyrimidine-5-carbonitrile;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol?
The IUPAC name of 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(3-methoxypropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-amino-4-[5-(3-hydroxy-3-methylbut-1-ynyl)-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-3-yl]pyrimidine-5-carbonitrile;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol (CID 159498904) is 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(3-methoxypropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-amino-4-[5-(3-hydroxy-3-methylbut-1-ynyl)-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-3-yl]pyrimidine-5-carbonitrile;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol.
What is the SMILES notation for 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(3-methoxypropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-amino-4-[5-(3-hydroxy-3-methylbut-1-ynyl)-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-3-yl]pyrimidine-5-carbonitrile;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol?
The canonical SMILES for 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(3-methoxypropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-amino-4-[5-(3-hydroxy-3-methylbut-1-ynyl)-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-3-yl]pyrimidine-5-carbonitrile;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol is CC(C)(O)C#Cc1cc2c(-c3nc(N)ncc3C#N)cn(CC3CCOCC3)c2cn1.CC(C)(O)C#Cc1cc2c(-c3nc(N)ncc3C(F)(F)F)cn(CC(C)(C)O)c2cn1.CC(C)(O)C#Cc1cc2c(-c3nc(N)ncc3C(F)(F)F)cn(CC3CCOCC3)c2cn1.CC(C)(O)C#Cc1cc2c(-c3nc(N)ncc3F)cn(C3COC3)c2cn1.CC(C)(O)C#Cc1cc2c(-c3nc(N)ncc3F)cn(CC3CCOCC3)c2cn1.COCCCn1cc(-c2nc(N)ncc2F)c2cc(C#CC(C)(C)O)ncc21.
What is the InChIKey of 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(3-methoxypropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-amino-4-[5-(3-hydroxy-3-methylbut-1-ynyl)-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-3-yl]pyrimidine-5-carbonitrile;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol?
The InChIKey is LZDCZKLVHIMPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O2.C23H24N6O2.C22H24FN5O2.C21H22F3N5O2.C20H22FN5O2.C19H18FN5O2/c1-22(2,32)6-3-15-9-16-17(20-18(23(24,25)26)10-29-21(27)30-20)13-31(19(16)11-28-15)12-14-4-7-33-8-5-14;1-23(2,30)6-3-17-9-18-19(21-16(10-24)11-27-22(25)28-21)14-29(20(18)12-26-17)13-15-4-7-31-8-5-15;1-22(2,29)6-3-15-9-16-17(20-18(23)10-26-21(24)27-20)13-28(19(16)11-25-15)12-14-4-7-30-8-5-14;1-19(2,30)6-5-12-7-13-14(10-29(11-20(3,4)31)16(13)9-26-12)17-15(21(22,23)24)8-27-18(25)28-17;1-20(2,27)6-5-13-9-14-15(18-16(21)10-24-19(22)25-18)12-26(7-4-8-28-3)17(14)11-23-13;1-19(2,26)4-3-11-5-13-14(17-15(20)6-23-18(21)24-17)8-25(12-9-27-10-12)16(13)7-22-11/h9-11,13-14,32H,4-5,7-8,12H2,1-2H3,(H2,27,29,30);9,11-12,14-15,30H,4-5,7-8,13H2,1-2H3,(H2,25,27,28);9-11,13-14,29H,4-5,7-8,12H2,1-2H3,(H2,24,26,27);7-10,30-31H,11H2,1-4H3,(H2,25,27,28);9-12,27H,4,7-8H2,1-3H3,(H2,22,24,25);5-8,12,26H,9-10H2,1-2H3,(H2,21,23,24).
What are the key properties of 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(3-methoxypropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-amino-4-[5-(3-hydroxy-3-methylbut-1-ynyl)-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-3-yl]pyrimidine-5-carbonitrile;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol?
4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(3-methoxypropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-amino-4-[5-(3-hydroxy-3-methylbut-1-ynyl)-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-3-yl]pyrimidine-5-carbonitrile;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol has a molecular weight of 2469.67 g/mol, XLogP of 16.17, 19 rotatable bonds, 13 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(3-methoxypropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;2-amino-4-[5-(3-hydroxy-3-methylbut-1-ynyl)-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-3-yl]pyrimidine-5-carbonitrile;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(2-hydroxy-2-methylpropyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol;4-[3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]-1-(oxan-4-ylmethyl)pyrrolo[2,3-c]pyridin-5-yl]-2-methylbut-3-yn-2-ol is sourced from PubChem (CID 159498904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).