4-(3,5-dimethyl-2H-pyrrol-4-yl)-5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(5-methylthiophen-2-yl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(3-phenylmethoxyphenyl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-quinolin-3-yl-1,3-thiazole;3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridine-6-carbaldehyde

C110H85N27O2S6 — CID 157318987

About 4-(3,5-dimethyl-2H-pyrrol-4-yl)-5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(5-methylthiophen-2-yl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(3-phenylmethoxyphenyl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-quinolin-3-yl-1,3-thiazole;3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridine-6-carbaldehyde

4-(3,5-dimethyl-2H-pyrrol-4-yl)-5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(5-methylthiophen-2-yl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(3-phenylmethoxyphenyl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-quinolin-3-yl-1,3-thiazole;3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridine-6-carbaldehyde (PubChem CID 157318987) has the molecular formula C110H85N27O2S6 and a molecular weight of 2009.48 g/mol. Its IUPAC name is 4-(3,5-dimethyl-2H-pyrrol-4-yl)-5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(5-methylthiophen-2-yl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(3-phenylmethoxyphenyl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-quinolin-3-yl-1,3-thiazole;3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridine-6-carbaldehyde.

Molecular Properties

• Compound Name: 4-(3,5-dimethyl-2H-pyrrol-4-yl)-5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(5-methylthiophen-2-yl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(3-phenylmethoxyphenyl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-quinolin-3-yl-1,3-thiazole;3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridine-6-carbaldehyde
• PubChem CID: 157318987
• Molecular Formula: C110H85N27O2S6
• Molecular Weight: 2009.48 g/mol
• Exact Mass: 2007.57
• IUPAC Name: 4-(3,5-dimethyl-2H-pyrrol-4-yl)-5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(5-methylthiophen-2-yl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(3-phenylmethoxyphenyl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-quinolin-3-yl-1,3-thiazole;3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridine-6-carbaldehyde
• SMILES: CC1=NCC(C)=C1c1nc(-c2c(C)nn3ccccc23)sc1C1=NCC=N1.Cc1ccc(-c2nc(-c3c(C)nn4ccccc34)sc2C2=NCC=N2)s1.Cc1nc2ccc(C=O)cn2c1-c1nc(-c2ccccc2)c(-c2ncc[nH]2)s1.Cc1nn2ccccc2c1-c1nc(-c2cccc(OCc3ccccc3)c2)c(C2=NCC=N2)s1.Cc1nn2ccccc2c1-c1nc(-c2cnc3ccccc3c2)c(C2=NCC=N2)s1
• InChI: InChI=1S/C27H21N5OS.C23H16N6S.C21H15N5OS.C20H18N6S.C19H15N5S2/c1-18-23(22-12-5-6-15-32(22)31-18)27-30-24(25(34-27)26-28-13-14-29-26)20-10-7-11-21(16-20)33-17-19-8-3-2-4-9-19;1-14-19(18-8-4-5-11-29(18)28-14)23-27-20(21(30-23)22-24-9-10-25-22)16-12-15-6-2-3-7-17(15)26-13-16;1-13-18(26-11-14(12-27)7-8-16(26)24-13)21-25-17(15-5-3-2-4-6-15)19(28-21)20-22-9-10-23-20;1-11-10-23-12(2)15(11)17-18(19-21-7-8-22-19)27-20(24-17)16-13(3)25-26-9-5-4-6-14(16)26;1-11-6-7-14(25-11)16-17(18-20-8-9-21-18)26-19(22-16)15-12(2)23-24-10-4-3-5-13(15)24/h2-13,15-16H,14,17H2,1H3;2-9,11-13H,10H2,1H3;2-12H,1H3,(H,22,23);4-7,9H,8,10H2,1-3H3;3-8,10H,9H2,1-2H3
• InChIKey: BDYCOLZDYHZDGB-UHFFFAOYSA-N
• XLogP: 23.77
• TPSA: 330.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 34
• Rotatable Bonds: 19
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2009.48
LogP ≤ 5	23.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-2H-pyrrol-4-yl)-5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(5-methylthiophen-2-yl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(3-phenylmethoxyphenyl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-quinolin-3-yl-1,3-thiazole;3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridine-6-carbaldehyde?

The IUPAC name of 4-(3,5-dimethyl-2H-pyrrol-4-yl)-5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(5-methylthiophen-2-yl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(3-phenylmethoxyphenyl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-quinolin-3-yl-1,3-thiazole;3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridine-6-carbaldehyde (CID 157318987) is 4-(3,5-dimethyl-2H-pyrrol-4-yl)-5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(5-methylthiophen-2-yl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(3-phenylmethoxyphenyl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-quinolin-3-yl-1,3-thiazole;3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridine-6-carbaldehyde.

What is the SMILES notation for 4-(3,5-dimethyl-2H-pyrrol-4-yl)-5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(5-methylthiophen-2-yl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(3-phenylmethoxyphenyl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-quinolin-3-yl-1,3-thiazole;3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridine-6-carbaldehyde?

The canonical SMILES for 4-(3,5-dimethyl-2H-pyrrol-4-yl)-5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(5-methylthiophen-2-yl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(3-phenylmethoxyphenyl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-quinolin-3-yl-1,3-thiazole;3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridine-6-carbaldehyde is CC1=NCC(C)=C1c1nc(-c2c(C)nn3ccccc23)sc1C1=NCC=N1.Cc1ccc(-c2nc(-c3c(C)nn4ccccc34)sc2C2=NCC=N2)s1.Cc1nc2ccc(C=O)cn2c1-c1nc(-c2ccccc2)c(-c2ncc[nH]2)s1.Cc1nn2ccccc2c1-c1nc(-c2cccc(OCc3ccccc3)c2)c(C2=NCC=N2)s1.Cc1nn2ccccc2c1-c1nc(-c2cnc3ccccc3c2)c(C2=NCC=N2)s1.

What is the InChIKey of 4-(3,5-dimethyl-2H-pyrrol-4-yl)-5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(5-methylthiophen-2-yl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(3-phenylmethoxyphenyl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-quinolin-3-yl-1,3-thiazole;3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridine-6-carbaldehyde?

The InChIKey is BDYCOLZDYHZDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5OS.C23H16N6S.C21H15N5OS.C20H18N6S.C19H15N5S2/c1-18-23(22-12-5-6-15-32(22)31-18)27-30-24(25(34-27)26-28-13-14-29-26)20-10-7-11-21(16-20)33-17-19-8-3-2-4-9-19;1-14-19(18-8-4-5-11-29(18)28-14)23-27-20(21(30-23)22-24-9-10-25-22)16-12-15-6-2-3-7-17(15)26-13-16;1-13-18(26-11-14(12-27)7-8-16(26)24-13)21-25-17(15-5-3-2-4-6-15)19(28-21)20-22-9-10-23-20;1-11-10-23-12(2)15(11)17-18(19-21-7-8-22-19)27-20(24-17)16-13(3)25-26-9-5-4-6-14(16)26;1-11-6-7-14(25-11)16-17(18-20-8-9-21-18)26-19(22-16)15-12(2)23-24-10-4-3-5-13(15)24/h2-13,15-16H,14,17H2,1H3;2-9,11-13H,10H2,1H3;2-12H,1H3,(H,22,23);4-7,9H,8,10H2,1-3H3;3-8,10H,9H2,1-2H3.

What are the key properties of 4-(3,5-dimethyl-2H-pyrrol-4-yl)-5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(5-methylthiophen-2-yl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(3-phenylmethoxyphenyl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-quinolin-3-yl-1,3-thiazole;3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridine-6-carbaldehyde?

4-(3,5-dimethyl-2H-pyrrol-4-yl)-5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(5-methylthiophen-2-yl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(3-phenylmethoxyphenyl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-quinolin-3-yl-1,3-thiazole;3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridine-6-carbaldehyde has a molecular weight of 2009.48 g/mol, XLogP of 23.77, 19 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,5-dimethyl-2H-pyrrol-4-yl)-5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(5-methylthiophen-2-yl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(3-phenylmethoxyphenyl)-1,3-thiazole;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-quinolin-3-yl-1,3-thiazole;3-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylimidazo[1,2-a]pyridine-6-carbaldehyde is sourced from PubChem (CID 157318987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).