2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide

C25H20N4O2S — CID 66855233

IUPAC2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nn2ccc(OCc3ccccc3)cc2c1-c1nc(-c2ccccc2)c(C(N)=O)s1
InChIInChI=1S/C25H20N4O2S/c1-16-21(25-27-22(23(32-25)24(26)30)18-10-6-3-7-11-18)20-14-19(12-13-29(20)28-16)31-15-17-8-4-2-5-9-17/h2-14H,15H2,1H3,(H2,26,30)
InChIKeyJEXKFSPWRVVOSF-UHFFFAOYSA-N
MW440.53 g/mol
LogP5.11
Rot. Bonds6

About 2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide

2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 66855233) has the molecular formula C25H20N4O2S and a molecular weight of 440.53 g/mol. Its IUPAC name is 2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID66855233
Molecular FormulaC25H20N4O2S
Molecular Weight440.53 g/mol
Exact Mass440.13
IUPAC Name2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nn2ccc(OCc3ccccc3)cc2c1-c1nc(-c2ccccc2)c(C(N)=O)s1
InChIInChI=1S/C25H20N4O2S/c1-16-21(25-27-22(23(32-25)24(26)30)18-10-6-3-7-11-18)20-14-19(12-13-29(20)28-16)31-15-17-8-4-2-5-9-17/h2-14H,15H2,1H3,(H2,26,30)
InChIKeyJEXKFSPWRVVOSF-UHFFFAOYSA-N
XLogP5.11
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.53
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide (CID 66855233) is 2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide is Cc1nn2ccc(OCc3ccccc3)cc2c1-c1nc(-c2ccccc2)c(C(N)=O)s1.
What is the InChIKey of 2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is JEXKFSPWRVVOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2S/c1-16-21(25-27-22(23(32-25)24(26)30)18-10-6-3-7-11-18)20-14-19(12-13-29(20)28-16)31-15-17-8-4-2-5-9-17/h2-14H,15H2,1H3,(H2,26,30).
What are the key properties of 2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide?
2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 440.53 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-phenylmethoxypyrazolo[1,5-a]pyridin-3-yl)-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 66855233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).