5-(1H-imidazol-2-yl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-1,3-thiazole

C27H28N6OS — CID 118258034

IUPAC5-(1H-imidazol-2-yl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-1,3-thiazole
SMILESCc1nn2ccc(OCCN3CCCCC3)cc2c1-c1nc(-c2ccccc2)c(-c2ncc[nH]2)s1
InChIInChI=1S/C27H28N6OS/c1-19-23(22-18-21(10-15-33(22)31-19)34-17-16-32-13-6-3-7-14-32)27-30-24(20-8-4-2-5-9-20)25(35-27)26-28-11-12-29-26/h2,4-5,8-12,15,18H,3,6-7,13-14,16-17H2,1H3,(H,28,29)
InChIKeyJYFMGKANGHZWJC-UHFFFAOYSA-N
MW484.63 g/mol
LogP5.69
Rot. Bonds7

About 5-(1H-imidazol-2-yl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-1,3-thiazole

5-(1H-imidazol-2-yl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-1,3-thiazole (PubChem CID 118258034) has the molecular formula C27H28N6OS and a molecular weight of 484.63 g/mol. Its IUPAC name is 5-(1H-imidazol-2-yl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name5-(1H-imidazol-2-yl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-1,3-thiazole
PubChem CID118258034
Molecular FormulaC27H28N6OS
Molecular Weight484.63 g/mol
Exact Mass484.20
IUPAC Name5-(1H-imidazol-2-yl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-1,3-thiazole
SMILESCc1nn2ccc(OCCN3CCCCC3)cc2c1-c1nc(-c2ccccc2)c(-c2ncc[nH]2)s1
InChIInChI=1S/C27H28N6OS/c1-19-23(22-18-21(10-15-33(22)31-19)34-17-16-32-13-6-3-7-14-32)27-30-24(20-8-4-2-5-9-20)25(35-27)26-28-11-12-29-26/h2,4-5,8-12,15,18H,3,6-7,13-14,16-17H2,1H3,(H,28,29)
InChIKeyJYFMGKANGHZWJC-UHFFFAOYSA-N
XLogP5.69
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.63
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-[2-(4-fluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazole
CID 118258057
2-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]oxyethanol
CID 46865517
2-[5-[2-(4-fluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole
CID 66855151
2-[2-methyl-3-[4-phenyl-5-(4H-pyrazol-3-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]oxyethanol
CID 58095053
2-[5-[2-(4-fluoropiperidin-1-yl)ethoxy]-2-methylpyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;bis(4-methylbenzenesulfonic acid);pyrazolo[1,5-a]pyridine
CID 160558787
4-[2-[3-[4-(2-fluorophenyl)-5-(4H-imidazol-2-yl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyridin-5-yl]oxyethyl]morpholine
CID 118258053
4-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[1,5-a]pyridin-5-yl]morpholine
CID 58095208
4-(2-fluoro-6-methoxyphenyl)-N'-methanimidoyl-2-[2-methyl-5-(2-piperazin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-1,3-thiazole-5-carboximidamide
CID 91058040
4-(3-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 46865294
2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-5-[3-(oxan-2-yl)-1,2,4-triazol-3-yl]-4-phenyl-1,3-thiazole
CID 91275100
4-methyl-2-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-5-carboxylic acid
CID 20984058
1-[2-(3-phenylphenoxy)ethyl]piperidine
CID 58483782

Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-2-yl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-1,3-thiazole?
The IUPAC name of 5-(1H-imidazol-2-yl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-1,3-thiazole (CID 118258034) is 5-(1H-imidazol-2-yl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 5-(1H-imidazol-2-yl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 5-(1H-imidazol-2-yl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-1,3-thiazole is Cc1nn2ccc(OCCN3CCCCC3)cc2c1-c1nc(-c2ccccc2)c(-c2ncc[nH]2)s1.
What is the InChIKey of 5-(1H-imidazol-2-yl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-1,3-thiazole?
The InChIKey is JYFMGKANGHZWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6OS/c1-19-23(22-18-21(10-15-33(22)31-19)34-17-16-32-13-6-3-7-14-32)27-30-24(20-8-4-2-5-9-20)25(35-27)26-28-11-12-29-26/h2,4-5,8-12,15,18H,3,6-7,13-14,16-17H2,1H3,(H,28,29).
What are the key properties of 5-(1H-imidazol-2-yl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-1,3-thiazole?
5-(1H-imidazol-2-yl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-1,3-thiazole has a molecular weight of 484.63 g/mol, XLogP of 5.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-2-yl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 118258034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).