4-(2,3-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole;4-(2,6-dimethoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-(2,6-dimethylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole;[3-fluoro-2-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol;[3-(hydroxymethyl)-4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazol-4-yl]phenyl]methanol

C105H84F3N27O5S5 — CID 159289459

IUPAC4-(2,3-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole;4-(2,6-dimethoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-(2,6-dimethylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole;[3-fluoro-2-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol;[3-(hydroxymethyl)-4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazol-4-yl]phenyl]methanol
SMILESCOc1cccc(OC)c1-c1nc(-c2c(C)nn3ccccc23)sc1-c1ncn[nH]1.Cc1cccc(C)c1-c1nc(-c2c(C)nn3ccccc23)sc1C1=NN=CC1.Cc1nn2ccccc2c1-c1nc(-c2c(F)cccc2CO)c(-c2ncn[nH]2)s1.Cc1nn2ccccc2c1-c1nc(-c2ccc(CO)cc2CO)c(C2=NN=CC2)s1.Cc1nn2ccccc2c1-c1nc(-c2cccc(F)c2F)c(C2=NN=CC2)s1
InChIInChI=1S/C22H19N5O2S.C22H19N5S.C21H18N6O2S.C20H13F2N5S.C20H15FN6OS/c1-13-19(18-4-2-3-9-27(18)26-13)22-24-20(21(30-22)17-7-8-23-25-17)16-6-5-14(11-28)10-15(16)12-29;1-13-7-6-8-14(2)18(13)20-21(16-10-11-23-25-16)28-22(24-20)19-15(3)26-27-12-5-4-9-17(19)27;1-12-16(13-7-4-5-10-27(13)26-12)21-24-18(19(30-21)20-22-11-23-25-20)17-14(28-2)8-6-9-15(17)29-3;1-11-16(15-7-2-3-10-27(15)26-11)20-24-18(12-5-4-6-13(21)17(12)22)19(28-20)14-8-9-23-25-14;1-11-15(14-7-2-3-8-27(14)26-11)20-24-17(18(29-20)19-22-10-23-25-19)16-12(9-28)5-4-6-13(16)21/h2-6,8-10,28-29H,7,11-12H2,1H3;4-9,11-12H,10H2,1-3H3;4-11H,1-3H3,(H,22,23,25);2-7,9-10H,8H2,1H3;2-8,10,28H,9H2,1H3,(H,22,23,25)
InChIKeyKZXSDLMNIAHJPM-UHFFFAOYSA-N
MW2021.34 g/mol
LogP21.80
Rot. Bonds20

About 4-(2,3-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole;4-(2,6-dimethoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-(2,6-dimethylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole;[3-fluoro-2-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol;[3-(hydroxymethyl)-4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazol-4-yl]phenyl]methanol

4-(2,3-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole;4-(2,6-dimethoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-(2,6-dimethylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole;[3-fluoro-2-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol;[3-(hydroxymethyl)-4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazol-4-yl]phenyl]methanol (PubChem CID 159289459) has the molecular formula C105H84F3N27O5S5 and a molecular weight of 2021.34 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole;4-(2,6-dimethoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-(2,6-dimethylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole;[3-fluoro-2-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol;[3-(hydroxymethyl)-4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazol-4-yl]phenyl]methanol.

Molecular Properties

Compound Name4-(2,3-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole;4-(2,6-dimethoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-(2,6-dimethylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole;[3-fluoro-2-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol;[3-(hydroxymethyl)-4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazol-4-yl]phenyl]methanol
PubChem CID159289459
Molecular FormulaC105H84F3N27O5S5
Molecular Weight2021.34 g/mol
Exact Mass2019.57
IUPAC Name4-(2,3-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole;4-(2,6-dimethoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-(2,6-dimethylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole;[3-fluoro-2-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol;[3-(hydroxymethyl)-4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazol-4-yl]phenyl]methanol
SMILESCOc1cccc(OC)c1-c1nc(-c2c(C)nn3ccccc23)sc1-c1ncn[nH]1.Cc1cccc(C)c1-c1nc(-c2c(C)nn3ccccc23)sc1C1=NN=CC1.Cc1nn2ccccc2c1-c1nc(-c2c(F)cccc2CO)c(-c2ncn[nH]2)s1.Cc1nn2ccccc2c1-c1nc(-c2ccc(CO)cc2CO)c(C2=NN=CC2)s1.Cc1nn2ccccc2c1-c1nc(-c2cccc(F)c2F)c(C2=NN=CC2)s1
InChIInChI=1S/C22H19N5O2S.C22H19N5S.C21H18N6O2S.C20H13F2N5S.C20H15FN6OS/c1-13-19(18-4-2-3-9-27(18)26-13)22-24-20(21(30-22)17-7-8-23-25-17)16-6-5-14(11-28)10-15(16)12-29;1-13-7-6-8-14(2)18(13)20-21(16-10-11-23-25-16)28-22(24-20)19-15(3)26-27-12-5-4-9-17(19)27;1-12-16(13-7-4-5-10-27(13)26-12)21-24-18(19(30-21)20-22-11-23-25-20)17-14(28-2)8-6-9-15(17)29-3;1-11-16(15-7-2-3-10-27(15)26-11)20-24-18(12-5-4-6-13(21)17(12)22)19(28-20)14-8-9-23-25-14;1-11-15(14-7-2-3-8-27(14)26-11)20-24-17(18(29-20)19-22-10-23-25-19)16-12(9-28)5-4-6-13(16)21/h2-6,8-10,28-29H,7,11-12H2,1H3;4-9,11-12H,10H2,1-3H3;4-11H,1-3H3,(H,22,23,25);2-7,9-10H,8H2,1H3;2-8,10,28H,9H2,1H3,(H,22,23,25)
InChIKeyKZXSDLMNIAHJPM-UHFFFAOYSA-N
XLogP21.80
TPSA387.40 Ų
H-Bond Donors5
H-Bond Acceptors35
Rotatable Bonds20
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002021.34
LogP ≤ 521.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1035

Analyze 4-(2,3-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole;4-(2,6-dimethoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-(2,6-dimethylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole;[3-fluoro-2-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol;[3-(hydroxymethyl)-4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazol-4-yl]phenyl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole;4-(2,6-dimethoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-(2,6-dimethylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole;[3-fluoro-2-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol;[3-(hydroxymethyl)-4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazol-4-yl]phenyl]methanol?
The IUPAC name of 4-(2,3-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole;4-(2,6-dimethoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-(2,6-dimethylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole;[3-fluoro-2-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol;[3-(hydroxymethyl)-4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazol-4-yl]phenyl]methanol (CID 159289459) is 4-(2,3-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole;4-(2,6-dimethoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-(2,6-dimethylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole;[3-fluoro-2-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol;[3-(hydroxymethyl)-4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazol-4-yl]phenyl]methanol.
What is the SMILES notation for 4-(2,3-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole;4-(2,6-dimethoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-(2,6-dimethylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole;[3-fluoro-2-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol;[3-(hydroxymethyl)-4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazol-4-yl]phenyl]methanol?
The canonical SMILES for 4-(2,3-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole;4-(2,6-dimethoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-(2,6-dimethylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole;[3-fluoro-2-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol;[3-(hydroxymethyl)-4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazol-4-yl]phenyl]methanol is COc1cccc(OC)c1-c1nc(-c2c(C)nn3ccccc23)sc1-c1ncn[nH]1.Cc1cccc(C)c1-c1nc(-c2c(C)nn3ccccc23)sc1C1=NN=CC1.Cc1nn2ccccc2c1-c1nc(-c2c(F)cccc2CO)c(-c2ncn[nH]2)s1.Cc1nn2ccccc2c1-c1nc(-c2ccc(CO)cc2CO)c(C2=NN=CC2)s1.Cc1nn2ccccc2c1-c1nc(-c2cccc(F)c2F)c(C2=NN=CC2)s1.
What is the InChIKey of 4-(2,3-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole;4-(2,6-dimethoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-(2,6-dimethylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole;[3-fluoro-2-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol;[3-(hydroxymethyl)-4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazol-4-yl]phenyl]methanol?
The InChIKey is KZXSDLMNIAHJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2S.C22H19N5S.C21H18N6O2S.C20H13F2N5S.C20H15FN6OS/c1-13-19(18-4-2-3-9-27(18)26-13)22-24-20(21(30-22)17-7-8-23-25-17)16-6-5-14(11-28)10-15(16)12-29;1-13-7-6-8-14(2)18(13)20-21(16-10-11-23-25-16)28-22(24-20)19-15(3)26-27-12-5-4-9-17(19)27;1-12-16(13-7-4-5-10-27(13)26-12)21-24-18(19(30-21)20-22-11-23-25-20)17-14(28-2)8-6-9-15(17)29-3;1-11-16(15-7-2-3-10-27(15)26-11)20-24-18(12-5-4-6-13(21)17(12)22)19(28-20)14-8-9-23-25-14;1-11-15(14-7-2-3-8-27(14)26-11)20-24-17(18(29-20)19-22-10-23-25-19)16-12(9-28)5-4-6-13(16)21/h2-6,8-10,28-29H,7,11-12H2,1H3;4-9,11-12H,10H2,1-3H3;4-11H,1-3H3,(H,22,23,25);2-7,9-10H,8H2,1H3;2-8,10,28H,9H2,1H3,(H,22,23,25).
What are the key properties of 4-(2,3-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole;4-(2,6-dimethoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-(2,6-dimethylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole;[3-fluoro-2-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol;[3-(hydroxymethyl)-4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazol-4-yl]phenyl]methanol?
4-(2,3-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole;4-(2,6-dimethoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-(2,6-dimethylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole;[3-fluoro-2-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol;[3-(hydroxymethyl)-4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazol-4-yl]phenyl]methanol has a molecular weight of 2021.34 g/mol, XLogP of 21.80, 20 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole;4-(2,6-dimethoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-(2,6-dimethylphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazole;[3-fluoro-2-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]methanol;[3-(hydroxymethyl)-4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(4H-pyrazol-3-yl)-1,3-thiazol-4-yl]phenyl]methanol is sourced from PubChem (CID 159289459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).