[3-[2-(cyclobutylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[[(2R)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(3-methylbutan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(4-methylpentan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(1-phenylethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol

C119H118F5N25O5 — CID 159620798

IUPAC[3-[2-(cyclobutylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[[(2R)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(3-methylbutan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(4-methylpentan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(1-phenylethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCC(C)C(C)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1.CC(C)CC(C)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1.CC(Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1)c1ccccc1.C[C@@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1)C(C)(C)C.OCc1ccn2c(-c3ccnc(NC4CCC4)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C26H22FN5O.2C24H26FN5O.C23H24FN5O.C22H20FN5O/c1-17(19-5-3-2-4-6-19)29-26-28-13-11-22(30-26)25-24(20-7-9-21(27)10-8-20)31-23-15-18(16-33)12-14-32(23)25;1-15(24(2,3)4)27-23-26-11-9-19(28-23)22-21(17-5-7-18(25)8-6-17)29-20-13-16(14-31)10-12-30(20)22;1-15(2)12-16(3)27-24-26-10-8-20(28-24)23-22(18-4-6-19(25)7-5-18)29-21-13-17(14-31)9-11-30(21)23;1-14(2)15(3)26-23-25-10-8-19(27-23)22-21(17-4-6-18(24)7-5-17)28-20-12-16(13-30)9-11-29(20)22;23-16-6-4-15(5-7-16)20-21(28-11-9-14(13-29)12-19(28)27-20)18-8-10-24-22(26-18)25-17-2-1-3-17/h2-15,17,33H,16H2,1H3,(H,28,29,30);5-13,15,31H,14H2,1-4H3,(H,26,27,28);4-11,13,15-16,31H,12,14H2,1-3H3,(H,26,27,28);4-12,14-15,30H,13H2,1-3H3,(H,25,26,27);4-12,17,29H,1-3,13H2,(H,24,25,26)/t;15-;;;/m.1.../s1
InChIKeyMNVYXERTGGHAIB-DGBODPBGSA-N
MW2073.41 g/mol
LogP23.74
Rot. Bonds29

About [3-[2-(cyclobutylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[[(2R)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(3-methylbutan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(4-methylpentan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(1-phenylethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol

[3-[2-(cyclobutylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[[(2R)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(3-methylbutan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(4-methylpentan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(1-phenylethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 159620798) has the molecular formula C119H118F5N25O5 and a molecular weight of 2073.41 g/mol. Its IUPAC name is [3-[2-(cyclobutylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[[(2R)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(3-methylbutan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(4-methylpentan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(1-phenylethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[3-[2-(cyclobutylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[[(2R)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(3-methylbutan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(4-methylpentan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(1-phenylethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
PubChem CID159620798
Molecular FormulaC119H118F5N25O5
Molecular Weight2073.41 g/mol
Exact Mass2071.97
IUPAC Name[3-[2-(cyclobutylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[[(2R)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(3-methylbutan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(4-methylpentan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(1-phenylethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCC(C)C(C)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1.CC(C)CC(C)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1.CC(Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1)c1ccccc1.C[C@@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1)C(C)(C)C.OCc1ccn2c(-c3ccnc(NC4CCC4)n3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C26H22FN5O.2C24H26FN5O.C23H24FN5O.C22H20FN5O/c1-17(19-5-3-2-4-6-19)29-26-28-13-11-22(30-26)25-24(20-7-9-21(27)10-8-20)31-23-15-18(16-33)12-14-32(23)25;1-15(24(2,3)4)27-23-26-11-9-19(28-23)22-21(17-5-7-18(25)8-6-17)29-20-13-16(14-31)10-12-30(20)22;1-15(2)12-16(3)27-24-26-10-8-20(28-24)23-22(18-4-6-19(25)7-5-18)29-21-13-17(14-31)9-11-30(21)23;1-14(2)15(3)26-23-25-10-8-19(27-23)22-21(17-4-6-18(24)7-5-17)28-20-12-16(13-30)9-11-29(20)22;23-16-6-4-15(5-7-16)20-21(28-11-9-14(13-29)12-19(28)27-20)18-8-10-24-22(26-18)25-17-2-1-3-17/h2-15,17,33H,16H2,1H3,(H,28,29,30);5-13,15,31H,14H2,1-4H3,(H,26,27,28);4-11,13,15-16,31H,12,14H2,1-3H3,(H,26,27,28);4-12,14-15,30H,13H2,1-3H3,(H,25,26,27);4-12,17,29H,1-3,13H2,(H,24,25,26)/t;15-;;;/m.1.../s1
InChIKeyMNVYXERTGGHAIB-DGBODPBGSA-N
XLogP23.74
TPSA376.70 Ų
H-Bond Donors10
H-Bond Acceptors30
Rotatable Bonds29
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002073.41
LogP ≤ 523.74
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1030

Analyze [3-[2-(cyclobutylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[[(2R)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(3-methylbutan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(4-methylpentan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(1-phenylethylamino)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-(cyclobutylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[[(2R)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(3-methylbutan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(4-methylpentan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(1-phenylethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The IUPAC name of [3-[2-(cyclobutylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[[(2R)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(3-methylbutan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(4-methylpentan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(1-phenylethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (CID 159620798) is [3-[2-(cyclobutylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[[(2R)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(3-methylbutan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(4-methylpentan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(1-phenylethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.
What is the SMILES notation for [3-[2-(cyclobutylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[[(2R)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(3-methylbutan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(4-methylpentan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(1-phenylethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The canonical SMILES for [3-[2-(cyclobutylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[[(2R)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(3-methylbutan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(4-methylpentan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(1-phenylethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is CC(C)C(C)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1.CC(C)CC(C)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1.CC(Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1)c1ccccc1.C[C@@H](Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1)C(C)(C)C.OCc1ccn2c(-c3ccnc(NC4CCC4)n3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of [3-[2-(cyclobutylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[[(2R)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(3-methylbutan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(4-methylpentan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(1-phenylethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The InChIKey is MNVYXERTGGHAIB-DGBODPBGSA-N. The full InChI is InChI=1S/C26H22FN5O.2C24H26FN5O.C23H24FN5O.C22H20FN5O/c1-17(19-5-3-2-4-6-19)29-26-28-13-11-22(30-26)25-24(20-7-9-21(27)10-8-20)31-23-15-18(16-33)12-14-32(23)25;1-15(24(2,3)4)27-23-26-11-9-19(28-23)22-21(17-5-7-18(25)8-6-17)29-20-13-16(14-31)10-12-30(20)22;1-15(2)12-16(3)27-24-26-10-8-20(28-24)23-22(18-4-6-19(25)7-5-18)29-21-13-17(14-31)9-11-30(21)23;1-14(2)15(3)26-23-25-10-8-19(27-23)22-21(17-4-6-18(24)7-5-17)28-20-12-16(13-30)9-11-29(20)22;23-16-6-4-15(5-7-16)20-21(28-11-9-14(13-29)12-19(28)27-20)18-8-10-24-22(26-18)25-17-2-1-3-17/h2-15,17,33H,16H2,1H3,(H,28,29,30);5-13,15,31H,14H2,1-4H3,(H,26,27,28);4-11,13,15-16,31H,12,14H2,1-3H3,(H,26,27,28);4-12,14-15,30H,13H2,1-3H3,(H,25,26,27);4-12,17,29H,1-3,13H2,(H,24,25,26)/t;15-;;;/m.1.../s1.
What are the key properties of [3-[2-(cyclobutylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[[(2R)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(3-methylbutan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(4-methylpentan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(1-phenylethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
[3-[2-(cyclobutylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[[(2R)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(3-methylbutan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(4-methylpentan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(1-phenylethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 2073.41 g/mol, XLogP of 23.74, 29 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(cyclobutylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[[(2R)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(3-methylbutan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(4-methylpentan-2-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-(1-phenylethylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 159620798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).