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

C27H27N7O2 — CID 135772425

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

2-[4-(dimethylamino)phenyl]-7-(3-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135772425) has the molecular formula C27H27N7O2 and a molecular weight of 481.56 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-7-(3-methoxyphenyl)-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-(3-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 135772425
• Molecular Formula: C27H27N7O2
• Molecular Weight: 481.56 g/mol
• Exact Mass: 481.22
• IUPAC Name: 2-[4-(dimethylamino)phenyl]-7-(3-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: COc1cccc(C2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(-c4ccc(N(C)C)cc4)nn32)c1
• InChI: InChI=1S/C27H27N7O2/c1-17-23(26(35)30-20-8-6-14-28-16-20)24(19-7-5-9-22(15-19)36-4)34-27(29-17)31-25(32-34)18-10-12-21(13-11-18)33(2)3/h5-16,24H,1-4H3,(H,30,35)(H,29,31,32)
• InChIKey: QJMKAZRCGIKFLP-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 97.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.56
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-7-(3-methoxyphenyl)-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-(3-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135772425) is 2-[4-(dimethylamino)phenyl]-7-(3-methoxyphenyl)-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-(3-methoxyphenyl)-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-(3-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is COc1cccc(C2C(C(=O)Nc3cccnc3)=C(C)Nc3nc(-c4ccc(N(C)C)cc4)nn32)c1.

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

The InChIKey is QJMKAZRCGIKFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O2/c1-17-23(26(35)30-20-8-6-14-28-16-20)24(19-7-5-9-22(15-19)36-4)34-27(29-17)31-25(32-34)18-10-12-21(13-11-18)33(2)3/h5-16,24H,1-4H3,(H,30,35)(H,29,31,32).

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

2-[4-(dimethylamino)phenyl]-7-(3-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 481.56 g/mol, XLogP of 4.34, 6 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-(3-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135772425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).