5-methyl-N-phenyl-2,7-dipyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C23H19N7O — CID 3238176

IUPAC5-methyl-N-phenyl-2,7-dipyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2cccnc2)n2nc(-c3cccnc3)nc2N1
InChIInChI=1S/C23H19N7O/c1-15-19(22(31)27-18-9-3-2-4-10-18)20(16-7-5-11-24-13-16)30-23(26-15)28-21(29-30)17-8-6-12-25-14-17/h2-14,20H,1H3,(H,27,31)(H,26,28,29)
InChIKeyUANGTSSFHUAOHW-UHFFFAOYSA-N
MW409.45 g/mol
LogP3.66
Rot. Bonds4

About 5-methyl-N-phenyl-2,7-dipyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

5-methyl-N-phenyl-2,7-dipyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 3238176) has the molecular formula C23H19N7O and a molecular weight of 409.45 g/mol. Its IUPAC name is 5-methyl-N-phenyl-2,7-dipyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-N-phenyl-2,7-dipyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID3238176
Molecular FormulaC23H19N7O
Molecular Weight409.45 g/mol
Exact Mass409.17
IUPAC Name5-methyl-N-phenyl-2,7-dipyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2cccnc2)n2nc(-c3cccnc3)nc2N1
InChIInChI=1S/C23H19N7O/c1-15-19(22(31)27-18-9-3-2-4-10-18)20(16-7-5-11-24-13-16)30-23(26-15)28-21(29-30)17-8-6-12-25-14-17/h2-14,20H,1H3,(H,27,31)(H,26,28,29)
InChIKeyUANGTSSFHUAOHW-UHFFFAOYSA-N
XLogP3.66
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-phenyl-2,7-dipyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-N-phenyl-2,7-dipyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 3238176) is 5-methyl-N-phenyl-2,7-dipyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-N-phenyl-2,7-dipyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-N-phenyl-2,7-dipyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccccc2)C(c2cccnc2)n2nc(-c3cccnc3)nc2N1.
What is the InChIKey of 5-methyl-N-phenyl-2,7-dipyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is UANGTSSFHUAOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O/c1-15-19(22(31)27-18-9-3-2-4-10-18)20(16-7-5-11-24-13-16)30-23(26-15)28-21(29-30)17-8-6-12-25-14-17/h2-14,20H,1H3,(H,27,31)(H,26,28,29).
What are the key properties of 5-methyl-N-phenyl-2,7-dipyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
5-methyl-N-phenyl-2,7-dipyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-phenyl-2,7-dipyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3238176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).