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

C23H23N7O — CID 90383091

IUPAC1-methyl-4-(4-methyl-2-pyridinyl)-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCc1ccnc(-c2cnn(C)c2C(=O)NC2CCn3nc(-c4ccccc4)nc3C2)c1
InChIInChI=1S/C23H23N7O/c1-15-8-10-24-19(12-15)18-14-25-29(2)21(18)23(31)26-17-9-11-30-20(13-17)27-22(28-30)16-6-4-3-5-7-16/h3-8,10,12,14,17H,9,11,13H2,1-2H3,(H,26,31)
InChIKeyRERNUWSSPSWACR-UHFFFAOYSA-N
MW413.49 g/mol
LogP2.79
Rot. Bonds4

About 1-methyl-4-(4-methyl-2-pyridinyl)-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-2-pyridinyl)-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide (PubChem CID 90383091) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is 1-methyl-4-(4-methyl-2-pyridinyl)-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-2-pyridinyl)-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
PubChem CID90383091
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC Name1-methyl-4-(4-methyl-2-pyridinyl)-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCc1ccnc(-c2cnn(C)c2C(=O)NC2CCn3nc(-c4ccccc4)nc3C2)c1
InChIInChI=1S/C23H23N7O/c1-15-8-10-24-19(12-15)18-14-25-29(2)21(18)23(31)26-17-9-11-30-20(13-17)27-22(28-30)16-6-4-3-5-7-16/h3-8,10,12,14,17H,9,11,13H2,1-2H3,(H,26,31)
InChIKeyRERNUWSSPSWACR-UHFFFAOYSA-N
XLogP2.79
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methyl-2-pyridinyl)-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-2-pyridinyl)-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide (CID 90383091) is 1-methyl-4-(4-methyl-2-pyridinyl)-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-2-pyridinyl)-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-2-pyridinyl)-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide is Cc1ccnc(-c2cnn(C)c2C(=O)NC2CCn3nc(-c4ccccc4)nc3C2)c1.
What is the InChIKey of 1-methyl-4-(4-methyl-2-pyridinyl)-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The InChIKey is RERNUWSSPSWACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O/c1-15-8-10-24-19(12-15)18-14-25-29(2)21(18)23(31)26-17-9-11-30-20(13-17)27-22(28-30)16-6-4-3-5-7-16/h3-8,10,12,14,17H,9,11,13H2,1-2H3,(H,26,31).
What are the key properties of 1-methyl-4-(4-methyl-2-pyridinyl)-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-2-pyridinyl)-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 413.49 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methyl-2-pyridinyl)-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 90383091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).