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

C21H21N7OS — CID 90383107

IUPAC1-methyl-4-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCc1csc(-c2cnn(C)c2C(=O)NC2CCn3nc(-c4ccccc4)nc3C2)n1
InChIInChI=1S/C21H21N7OS/c1-13-12-30-21(23-13)16-11-22-27(2)18(16)20(29)24-15-8-9-28-17(10-15)25-19(26-28)14-6-4-3-5-7-14/h3-7,11-12,15H,8-10H2,1-2H3,(H,24,29)
InChIKeyOYYVCZQJFBGCRF-UHFFFAOYSA-N
MW419.51 g/mol
LogP2.86
Rot. Bonds4

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

1-methyl-4-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide (PubChem CID 90383107) has the molecular formula C21H21N7OS and a molecular weight of 419.51 g/mol. Its IUPAC name is 1-methyl-4-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-4-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
PubChem CID90383107
Molecular FormulaC21H21N7OS
Molecular Weight419.51 g/mol
Exact Mass419.15
IUPAC Name1-methyl-4-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCc1csc(-c2cnn(C)c2C(=O)NC2CCn3nc(-c4ccccc4)nc3C2)n1
InChIInChI=1S/C21H21N7OS/c1-13-12-30-21(23-13)16-11-22-27(2)18(16)20(29)24-15-8-9-28-17(10-15)25-19(26-28)14-6-4-3-5-7-14/h3-7,11-12,15H,8-10H2,1-2H3,(H,24,29)
InChIKeyOYYVCZQJFBGCRF-UHFFFAOYSA-N
XLogP2.86
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methyl-1,3-thiazol-2-yl)-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 1-methyl-4-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide (CID 90383107) is 1-methyl-4-(4-methyl-1,3-thiazol-2-yl)-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 1-methyl-4-(4-methyl-1,3-thiazol-2-yl)-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 1-methyl-4-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide is Cc1csc(-c2cnn(C)c2C(=O)NC2CCn3nc(-c4ccccc4)nc3C2)n1.
What is the InChIKey of 1-methyl-4-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The InChIKey is OYYVCZQJFBGCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7OS/c1-13-12-30-21(23-13)16-11-22-27(2)18(16)20(29)24-15-8-9-28-17(10-15)25-19(26-28)14-6-4-3-5-7-14/h3-7,11-12,15H,8-10H2,1-2H3,(H,24,29).
What are the key properties of 1-methyl-4-(4-methyl-1,3-thiazol-2-yl)-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
1-methyl-4-(4-methyl-1,3-thiazol-2-yl)-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 419.51 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methyl-1,3-thiazol-2-yl)-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 90383107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).