5-methyl-7-(3-methylthiophen-2-yl)-N-pyridin-3-yl-2-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C22H19N7OS — CID 135845887

IUPAC5-methyl-7-(3-methylthiophen-2-yl)-N-pyridin-3-yl-2-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2cccnc2)C(c2sccc2C)n2nc(-c3ccncc3)nc2N1
InChIInChI=1S/C22H19N7OS/c1-13-7-11-31-19(13)18-17(21(30)26-16-4-3-8-24-12-16)14(2)25-22-27-20(28-29(18)22)15-5-9-23-10-6-15/h3-12,18H,1-2H3,(H,26,30)(H,25,27,28)
InChIKeyGWBGUOXKHRKAPX-UHFFFAOYSA-N
MW429.51 g/mol
LogP4.03
Rot. Bonds4

About 5-methyl-7-(3-methylthiophen-2-yl)-N-pyridin-3-yl-2-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

5-methyl-7-(3-methylthiophen-2-yl)-N-pyridin-3-yl-2-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135845887) has the molecular formula C22H19N7OS and a molecular weight of 429.51 g/mol. Its IUPAC name is 5-methyl-7-(3-methylthiophen-2-yl)-N-pyridin-3-yl-2-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-7-(3-methylthiophen-2-yl)-N-pyridin-3-yl-2-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135845887
Molecular FormulaC22H19N7OS
Molecular Weight429.51 g/mol
Exact Mass429.14
IUPAC Name5-methyl-7-(3-methylthiophen-2-yl)-N-pyridin-3-yl-2-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2cccnc2)C(c2sccc2C)n2nc(-c3ccncc3)nc2N1
InChIInChI=1S/C22H19N7OS/c1-13-7-11-31-19(13)18-17(21(30)26-16-4-3-8-24-12-16)14(2)25-22-27-20(28-29(18)22)15-5-9-23-10-6-15/h3-12,18H,1-2H3,(H,26,30)(H,25,27,28)
InChIKeyGWBGUOXKHRKAPX-UHFFFAOYSA-N
XLogP4.03
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-methyl-2-(3-methylphenyl)-7-(3-methylthiophen-2-yl)-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135575450
5-methyl-7-phenyl-N-pyridin-3-yl-2-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135548896
7-(2-fluorophenyl)-5-methyl-N-pyridin-3-yl-2-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135548853
2-(4-chlorophenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135847506
2-(4-tert-butylphenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135823324
5-methyl-2-(4-methylphenyl)-7-phenyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135709910
2,7-bis(4-fluorophenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135575348
2-(3,5-dimethoxyphenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135551237
2-(3-hydroxyphenyl)-5-methyl-N-pyridin-3-yl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135573788
7-(2-fluorophenyl)-5-methyl-2-phenyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135799768
5-methyl-2-phenyl-7-pyridin-1-ium-2-yl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 4165307
(7R)-2-(3-methoxyphenyl)-5-methyl-N-pyridin-3-yl-7-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135890375

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(3-methylthiophen-2-yl)-N-pyridin-3-yl-2-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-7-(3-methylthiophen-2-yl)-N-pyridin-3-yl-2-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135845887) is 5-methyl-7-(3-methylthiophen-2-yl)-N-pyridin-3-yl-2-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-7-(3-methylthiophen-2-yl)-N-pyridin-3-yl-2-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-7-(3-methylthiophen-2-yl)-N-pyridin-3-yl-2-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2cccnc2)C(c2sccc2C)n2nc(-c3ccncc3)nc2N1.
What is the InChIKey of 5-methyl-7-(3-methylthiophen-2-yl)-N-pyridin-3-yl-2-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is GWBGUOXKHRKAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7OS/c1-13-7-11-31-19(13)18-17(21(30)26-16-4-3-8-24-12-16)14(2)25-22-27-20(28-29(18)22)15-5-9-23-10-6-15/h3-12,18H,1-2H3,(H,26,30)(H,25,27,28).
What are the key properties of 5-methyl-7-(3-methylthiophen-2-yl)-N-pyridin-3-yl-2-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
5-methyl-7-(3-methylthiophen-2-yl)-N-pyridin-3-yl-2-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 429.51 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(3-methylthiophen-2-yl)-N-pyridin-3-yl-2-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135845887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).