5-(1H-imidazol-2-yl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole;4-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-phenylmethoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-prop-2-enoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-propoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole

C105H93N29O6S5 — CID 161465330

IUPAC5-(1H-imidazol-2-yl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole;4-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-phenylmethoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-prop-2-enoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-propoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESC=CCOc1nc(-c2c(C)nn3ccccc23)sc1-c1ncn[nH]1.CCCOc1nc(-c2c(C)nn3ccccc23)sc1-c1ncn[nH]1.Cc1nn2ccc(OCCN3CCOCC3)cc2c1-c1nc(-c2ccccc2)c(-c2ncc[nH]2)s1.Cc1nn2ccc(OCc3ccccc3)cc2c1-c1nc(-c2ccccc2)c(-c2ncc[nH]2)s1.Cc1nn2ccccc2c1-c1nc(OCc2ccccc2)c(-c2ncn[nH]2)s1
InChIInChI=1S/C27H21N5OS.C26H26N6O2S.C20H16N6OS.C16H16N6OS.C16H14N6OS/c1-18-23(22-16-21(12-15-32(22)31-18)33-17-19-8-4-2-5-9-19)27-30-24(20-10-6-3-7-11-20)25(34-27)26-28-13-14-29-26;1-18-22(21-17-20(7-10-32(21)30-18)34-16-13-31-11-14-33-15-12-31)26-29-23(19-5-3-2-4-6-19)24(35-26)25-27-8-9-28-25;1-13-16(15-9-5-6-10-26(15)25-13)20-23-19(17(28-20)18-21-12-22-24-18)27-11-14-7-3-2-4-8-14;2*1-3-8-23-15-13(14-17-9-18-20-14)24-16(19-15)12-10(2)21-22-7-5-4-6-11(12)22/h2-16H,17H2,1H3,(H,28,29);2-10,17H,11-16H2,1H3,(H,27,28);2-10,12H,11H2,1H3,(H,21,22,24);4-7,9H,3,8H2,1-2H3,(H,17,18,20);3-7,9H,1,8H2,2H3,(H,17,18,20)
InChIKeyWCIVEUQPWKSJDM-UHFFFAOYSA-N
MW2017.43 g/mol
LogP21.52
Rot. Bonds28

About 5-(1H-imidazol-2-yl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole;4-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-phenylmethoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-prop-2-enoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-propoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole

5-(1H-imidazol-2-yl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole;4-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-phenylmethoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-prop-2-enoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-propoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (PubChem CID 161465330) has the molecular formula C105H93N29O6S5 and a molecular weight of 2017.43 g/mol. Its IUPAC name is 5-(1H-imidazol-2-yl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole;4-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-phenylmethoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-prop-2-enoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-propoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-(1H-imidazol-2-yl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole;4-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-phenylmethoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-prop-2-enoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-propoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
PubChem CID161465330
Molecular FormulaC105H93N29O6S5
Molecular Weight2017.43 g/mol
Exact Mass2015.65
IUPAC Name5-(1H-imidazol-2-yl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole;4-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-phenylmethoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-prop-2-enoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-propoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESC=CCOc1nc(-c2c(C)nn3ccccc23)sc1-c1ncn[nH]1.CCCOc1nc(-c2c(C)nn3ccccc23)sc1-c1ncn[nH]1.Cc1nn2ccc(OCCN3CCOCC3)cc2c1-c1nc(-c2ccccc2)c(-c2ncc[nH]2)s1.Cc1nn2ccc(OCc3ccccc3)cc2c1-c1nc(-c2ccccc2)c(-c2ncc[nH]2)s1.Cc1nn2ccccc2c1-c1nc(OCc2ccccc2)c(-c2ncn[nH]2)s1
InChIInChI=1S/C27H21N5OS.C26H26N6O2S.C20H16N6OS.C16H16N6OS.C16H14N6OS/c1-18-23(22-16-21(12-15-32(22)31-18)33-17-19-8-4-2-5-9-19)27-30-24(20-10-6-3-7-11-20)25(34-27)26-28-13-14-29-26;1-18-22(21-17-20(7-10-32(21)30-18)34-16-13-31-11-14-33-15-12-31)26-29-23(19-5-3-2-4-6-19)24(35-26)25-27-8-9-28-25;1-13-16(15-9-5-6-10-26(15)25-13)20-23-19(17(28-20)18-21-12-22-24-18)27-11-14-7-3-2-4-8-14;2*1-3-8-23-15-13(14-17-9-18-20-14)24-16(19-15)12-10(2)21-22-7-5-4-6-11(12)22/h2-16H,17H2,1H3,(H,28,29);2-10,17H,11-16H2,1H3,(H,27,28);2-10,12H,11H2,1H3,(H,21,22,24);4-7,9H,3,8H2,1-2H3,(H,17,18,20);3-7,9H,1,8H2,2H3,(H,17,18,20)
InChIKeyWCIVEUQPWKSJDM-UHFFFAOYSA-N
XLogP21.52
TPSA391.64 Ų
H-Bond Donors5
H-Bond Acceptors35
Rotatable Bonds28
Heavy Atoms145
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002017.43
LogP ≤ 521.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze 5-(1H-imidazol-2-yl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole;4-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-phenylmethoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-prop-2-enoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-propoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-2-yl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole;4-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-phenylmethoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-prop-2-enoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-propoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The IUPAC name of 5-(1H-imidazol-2-yl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole;4-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-phenylmethoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-prop-2-enoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-propoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (CID 161465330) is 5-(1H-imidazol-2-yl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole;4-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-phenylmethoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-prop-2-enoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-propoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 5-(1H-imidazol-2-yl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole;4-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-phenylmethoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-prop-2-enoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-propoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The canonical SMILES for 5-(1H-imidazol-2-yl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole;4-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-phenylmethoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-prop-2-enoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-propoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is C=CCOc1nc(-c2c(C)nn3ccccc23)sc1-c1ncn[nH]1.CCCOc1nc(-c2c(C)nn3ccccc23)sc1-c1ncn[nH]1.Cc1nn2ccc(OCCN3CCOCC3)cc2c1-c1nc(-c2ccccc2)c(-c2ncc[nH]2)s1.Cc1nn2ccc(OCc3ccccc3)cc2c1-c1nc(-c2ccccc2)c(-c2ncc[nH]2)s1.Cc1nn2ccccc2c1-c1nc(OCc2ccccc2)c(-c2ncn[nH]2)s1.
What is the InChIKey of 5-(1H-imidazol-2-yl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole;4-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-phenylmethoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-prop-2-enoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-propoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The InChIKey is WCIVEUQPWKSJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5OS.C26H26N6O2S.C20H16N6OS.C16H16N6OS.C16H14N6OS/c1-18-23(22-16-21(12-15-32(22)31-18)33-17-19-8-4-2-5-9-19)27-30-24(20-10-6-3-7-11-20)25(34-27)26-28-13-14-29-26;1-18-22(21-17-20(7-10-32(21)30-18)34-16-13-31-11-14-33-15-12-31)26-29-23(19-5-3-2-4-6-19)24(35-26)25-27-8-9-28-25;1-13-16(15-9-5-6-10-26(15)25-13)20-23-19(17(28-20)18-21-12-22-24-18)27-11-14-7-3-2-4-8-14;2*1-3-8-23-15-13(14-17-9-18-20-14)24-16(19-15)12-10(2)21-22-7-5-4-6-11(12)22/h2-16H,17H2,1H3,(H,28,29);2-10,17H,11-16H2,1H3,(H,27,28);2-10,12H,11H2,1H3,(H,21,22,24);4-7,9H,3,8H2,1-2H3,(H,17,18,20);3-7,9H,1,8H2,2H3,(H,17,18,20).
What are the key properties of 5-(1H-imidazol-2-yl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole;4-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-phenylmethoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-prop-2-enoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-propoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
5-(1H-imidazol-2-yl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole;4-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-phenylmethoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-prop-2-enoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-propoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole has a molecular weight of 2017.43 g/mol, XLogP of 21.52, 28 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-2-yl)-2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole;4-[2-[3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-phenylmethoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-prop-2-enoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-propoxy-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 161465330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).