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

C28H29N7O2 — CID 135768894

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

2-[4-(dimethylamino)phenyl]-7-(2-ethoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135768894) has the molecular formula C28H29N7O2 and a molecular weight of 495.59 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-7-(2-ethoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 2-[4-(dimethylamino)phenyl]-7-(2-ethoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 135768894
• Molecular Formula: C28H29N7O2
• Molecular Weight: 495.59 g/mol
• Exact Mass: 495.24
• IUPAC Name: 2-[4-(dimethylamino)phenyl]-7-(2-ethoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: CCOc1ccccc1C1C(C(=O)Nc2cccnc2)=C(C)Nc2nc(-c3ccc(N(C)C)cc3)nn21
• InChI: InChI=1S/C28H29N7O2/c1-5-37-23-11-7-6-10-22(23)25-24(27(36)31-20-9-8-16-29-17-20)18(2)30-28-32-26(33-35(25)28)19-12-14-21(15-13-19)34(3)4/h6-17,25H,5H2,1-4H3,(H,31,36)(H,30,32,33)
• InChIKey: GUPQSLFBXZWAFC-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 97.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.59
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-7-(2-ethoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

The IUPAC name of 2-[4-(dimethylamino)phenyl]-7-(2-ethoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135768894) is 2-[4-(dimethylamino)phenyl]-7-(2-ethoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-7-(2-ethoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

The canonical SMILES for 2-[4-(dimethylamino)phenyl]-7-(2-ethoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CCOc1ccccc1C1C(C(=O)Nc2cccnc2)=C(C)Nc2nc(-c3ccc(N(C)C)cc3)nn21.

What is the InChIKey of 2-[4-(dimethylamino)phenyl]-7-(2-ethoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

The InChIKey is GUPQSLFBXZWAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O2/c1-5-37-23-11-7-6-10-22(23)25-24(27(36)31-20-9-8-16-29-17-20)18(2)30-28-32-26(33-35(25)28)19-12-14-21(15-13-19)34(3)4/h6-17,25H,5H2,1-4H3,(H,31,36)(H,30,32,33).

What are the key properties of 2-[4-(dimethylamino)phenyl]-7-(2-ethoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

2-[4-(dimethylamino)phenyl]-7-(2-ethoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 495.59 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(dimethylamino)phenyl]-7-(2-ethoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135768894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).