[3-[2-(1H-benzimidazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol

C99H80F4N26O4S2 — CID 159295917

IUPAC[3-[2-(1H-benzimidazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCc1cccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CO)ccn34)n2)n1.Cc1nc(C(C)Nc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CO)ccn34)n2)cs1.OCc1ccn2c(-c3ccnc(NCc4cn5ccsc5n4)n3)c(-c3ccc(F)cc3)nc2c1.OCc1ccn2c(-c3ccnc(NCc4nc5ccccc5[nH]4)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C26H20FN7O.C25H21FN6O.C24H18FN7OS.C24H21FN6OS/c27-18-7-5-17(6-8-18)24-25(34-12-10-16(15-35)13-23(34)33-24)21-9-11-28-26(32-21)29-14-22-30-19-3-1-2-4-20(19)31-22;1-16-3-2-4-20(29-16)14-28-25-27-11-9-21(30-25)24-23(18-5-7-19(26)8-6-18)31-22-13-17(15-33)10-12-32(22)24;25-17-3-1-16(2-4-17)21-22(32-8-6-15(14-33)11-20(32)30-21)19-5-7-26-23(29-19)27-12-18-13-31-9-10-34-24(31)28-18;1-14(20-13-33-15(2)28-20)27-24-26-9-7-19(29-24)23-22(17-3-5-18(25)6-4-17)30-21-11-16(12-32)8-10-31(21)23/h1-13,35H,14-15H2,(H,30,31)(H,28,29,32);2-13,33H,14-15H2,1H3,(H,27,28,30);1-11,13,33H,12,14H2,(H,26,27,29);3-11,13-14,32H,12H2,1-2H3,(H,26,27,29)
InChIKeyLASHKGXLKCFFNW-UHFFFAOYSA-N
MW1838.03 g/mol
LogP18.42
Rot. Bonds24

About [3-[2-(1H-benzimidazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol

[3-[2-(1H-benzimidazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 159295917) has the molecular formula C99H80F4N26O4S2 and a molecular weight of 1838.03 g/mol. Its IUPAC name is [3-[2-(1H-benzimidazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[3-[2-(1H-benzimidazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
PubChem CID159295917
Molecular FormulaC99H80F4N26O4S2
Molecular Weight1838.03 g/mol
Exact Mass1836.62
IUPAC Name[3-[2-(1H-benzimidazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCc1cccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CO)ccn34)n2)n1.Cc1nc(C(C)Nc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CO)ccn34)n2)cs1.OCc1ccn2c(-c3ccnc(NCc4cn5ccsc5n4)n3)c(-c3ccc(F)cc3)nc2c1.OCc1ccn2c(-c3ccnc(NCc4nc5ccccc5[nH]4)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C26H20FN7O.C25H21FN6O.C24H18FN7OS.C24H21FN6OS/c27-18-7-5-17(6-8-18)24-25(34-12-10-16(15-35)13-23(34)33-24)21-9-11-28-26(32-21)29-14-22-30-19-3-1-2-4-20(19)31-22;1-16-3-2-4-20(29-16)14-28-25-27-11-9-21(30-25)24-23(18-5-7-19(26)8-6-18)31-22-13-17(15-33)10-12-32(22)24;25-17-3-1-16(2-4-17)21-22(32-8-6-15(14-33)11-20(32)30-21)19-5-7-26-23(29-19)27-12-18-13-31-9-10-34-24(31)28-18;1-14(20-13-33-15(2)28-20)27-24-26-9-7-19(29-24)23-22(17-3-5-18(25)6-4-17)30-21-11-16(12-32)8-10-31(21)23/h1-13,35H,14-15H2,(H,30,31)(H,28,29,32);2-13,33H,14-15H2,1H3,(H,27,28,30);1-11,13,33H,12,14H2,(H,26,27,29);3-11,13-14,32H,12H2,1-2H3,(H,26,27,29)
InChIKeyLASHKGXLKCFFNW-UHFFFAOYSA-N
XLogP18.42
TPSA373.12 Ų
H-Bond Donors9
H-Bond Acceptors31
Rotatable Bonds24
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001838.03
LogP ≤ 518.42
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1031

Analyze [3-[2-(1H-benzimidazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(1H-benzimidazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The IUPAC name of [3-[2-(1H-benzimidazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (CID 159295917) is [3-[2-(1H-benzimidazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.
What is the SMILES notation for [3-[2-(1H-benzimidazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The canonical SMILES for [3-[2-(1H-benzimidazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is Cc1cccc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CO)ccn34)n2)n1.Cc1nc(C(C)Nc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CO)ccn34)n2)cs1.OCc1ccn2c(-c3ccnc(NCc4cn5ccsc5n4)n3)c(-c3ccc(F)cc3)nc2c1.OCc1ccn2c(-c3ccnc(NCc4nc5ccccc5[nH]4)n3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of [3-[2-(1H-benzimidazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The InChIKey is LASHKGXLKCFFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN7O.C25H21FN6O.C24H18FN7OS.C24H21FN6OS/c27-18-7-5-17(6-8-18)24-25(34-12-10-16(15-35)13-23(34)33-24)21-9-11-28-26(32-21)29-14-22-30-19-3-1-2-4-20(19)31-22;1-16-3-2-4-20(29-16)14-28-25-27-11-9-21(30-25)24-23(18-5-7-19(26)8-6-18)31-22-13-17(15-33)10-12-32(22)24;25-17-3-1-16(2-4-17)21-22(32-8-6-15(14-33)11-20(32)30-21)19-5-7-26-23(29-19)27-12-18-13-31-9-10-34-24(31)28-18;1-14(20-13-33-15(2)28-20)27-24-26-9-7-19(29-24)23-22(17-3-5-18(25)6-4-17)30-21-11-16(12-32)8-10-31(21)23/h1-13,35H,14-15H2,(H,30,31)(H,28,29,32);2-13,33H,14-15H2,1H3,(H,27,28,30);1-11,13,33H,12,14H2,(H,26,27,29);3-11,13-14,32H,12H2,1-2H3,(H,26,27,29).
What are the key properties of [3-[2-(1H-benzimidazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
[3-[2-(1H-benzimidazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 1838.03 g/mol, XLogP of 18.42, 24 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(1H-benzimidazol-2-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 159295917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).