4-[5-(2-ethoxyethyl)-4-methyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide

C25H29N7O2S — CID 90383250

IUPAC4-[5-(2-ethoxyethyl)-4-methyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCCOCCc1sc(-c2cnn(C)c2C(=O)NC2CCn3nc(-c4ccccc4)nc3C2)nc1C
InChIInChI=1S/C25H29N7O2S/c1-4-34-13-11-20-16(2)27-25(35-20)19-15-26-31(3)22(19)24(33)28-18-10-12-32-21(14-18)29-23(30-32)17-8-6-5-7-9-17/h5-9,15,18H,4,10-14H2,1-3H3,(H,28,33)
InChIKeyHGPATJRUXDZOHK-UHFFFAOYSA-N
MW491.62 g/mol
LogP3.43
Rot. Bonds8

About 4-[5-(2-ethoxyethyl)-4-methyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide

4-[5-(2-ethoxyethyl)-4-methyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide (PubChem CID 90383250) has the molecular formula C25H29N7O2S and a molecular weight of 491.62 g/mol. Its IUPAC name is 4-[5-(2-ethoxyethyl)-4-methyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[5-(2-ethoxyethyl)-4-methyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
PubChem CID90383250
Molecular FormulaC25H29N7O2S
Molecular Weight491.62 g/mol
Exact Mass491.21
IUPAC Name4-[5-(2-ethoxyethyl)-4-methyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCCOCCc1sc(-c2cnn(C)c2C(=O)NC2CCn3nc(-c4ccccc4)nc3C2)nc1C
InChIInChI=1S/C25H29N7O2S/c1-4-34-13-11-20-16(2)27-25(35-20)19-15-26-31(3)22(19)24(33)28-18-10-12-32-21(14-18)29-23(30-32)17-8-6-5-7-9-17/h5-9,15,18H,4,10-14H2,1-3H3,(H,28,33)
InChIKeyHGPATJRUXDZOHK-UHFFFAOYSA-N
XLogP3.43
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.62
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-ethoxyethyl)-4-methyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-[5-(2-ethoxyethyl)-4-methyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide (CID 90383250) is 4-[5-(2-ethoxyethyl)-4-methyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-[5-(2-ethoxyethyl)-4-methyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-[5-(2-ethoxyethyl)-4-methyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide is CCOCCc1sc(-c2cnn(C)c2C(=O)NC2CCn3nc(-c4ccccc4)nc3C2)nc1C.
What is the InChIKey of 4-[5-(2-ethoxyethyl)-4-methyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The InChIKey is HGPATJRUXDZOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2S/c1-4-34-13-11-20-16(2)27-25(35-20)19-15-26-31(3)22(19)24(33)28-18-10-12-32-21(14-18)29-23(30-32)17-8-6-5-7-9-17/h5-9,15,18H,4,10-14H2,1-3H3,(H,28,33).
What are the key properties of 4-[5-(2-ethoxyethyl)-4-methyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
4-[5-(2-ethoxyethyl)-4-methyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide has a molecular weight of 491.62 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-ethoxyethyl)-4-methyl-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 90383250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).