(7R)-N-(2,4-dimethylphenyl)-5-methyl-7-[4-(naphthalen-1-ylmethoxy)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C32H29N5O2 — CID 135905917

About (7R)-N-(2,4-dimethylphenyl)-5-methyl-7-[4-(naphthalen-1-ylmethoxy)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

(7R)-N-(2,4-dimethylphenyl)-5-methyl-7-[4-(naphthalen-1-ylmethoxy)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135905917) has the molecular formula C32H29N5O2 and a molecular weight of 515.62 g/mol. Its IUPAC name is (7R)-N-(2,4-dimethylphenyl)-5-methyl-7-[4-(naphthalen-1-ylmethoxy)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: (7R)-N-(2,4-dimethylphenyl)-5-methyl-7-[4-(naphthalen-1-ylmethoxy)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 135905917
• Molecular Formula: C32H29N5O2
• Molecular Weight: 515.62 g/mol
• Exact Mass: 515.23
• IUPAC Name: (7R)-N-(2,4-dimethylphenyl)-5-methyl-7-[4-(naphthalen-1-ylmethoxy)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccc(OCc3cccc4ccccc34)cc2)n2ncnc2N1
• InChI: InChI=1S/C32H29N5O2/c1-20-11-16-28(21(2)17-20)36-31(38)29-22(3)35-32-33-19-34-37(32)30(29)24-12-14-26(15-13-24)39-18-25-9-6-8-23-7-4-5-10-27(23)25/h4-17,19,30H,18H2,1-3H3,(H,36,38)(H,33,34,35)/t30-/m1/s1
• InChIKey: SBKGMZSKPHMXAF-SSEXGKCCSA-N
• XLogP: 6.55
• TPSA: 81.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.62
LogP ≤ 5	6.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (7R)-N-(2,4-dimethylphenyl)-5-methyl-7-[4-(naphthalen-1-ylmethoxy)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

The IUPAC name of (7R)-N-(2,4-dimethylphenyl)-5-methyl-7-[4-(naphthalen-1-ylmethoxy)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135905917) is (7R)-N-(2,4-dimethylphenyl)-5-methyl-7-[4-(naphthalen-1-ylmethoxy)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

What is the SMILES notation for (7R)-N-(2,4-dimethylphenyl)-5-methyl-7-[4-(naphthalen-1-ylmethoxy)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

The canonical SMILES for (7R)-N-(2,4-dimethylphenyl)-5-methyl-7-[4-(naphthalen-1-ylmethoxy)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccc(OCc3cccc4ccccc34)cc2)n2ncnc2N1.

What is the InChIKey of (7R)-N-(2,4-dimethylphenyl)-5-methyl-7-[4-(naphthalen-1-ylmethoxy)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

The InChIKey is SBKGMZSKPHMXAF-SSEXGKCCSA-N. The full InChI is InChI=1S/C32H29N5O2/c1-20-11-16-28(21(2)17-20)36-31(38)29-22(3)35-32-33-19-34-37(32)30(29)24-12-14-26(15-13-24)39-18-25-9-6-8-23-7-4-5-10-27(23)25/h4-17,19,30H,18H2,1-3H3,(H,36,38)(H,33,34,35)/t30-/m1/s1.

What are the key properties of (7R)-N-(2,4-dimethylphenyl)-5-methyl-7-[4-(naphthalen-1-ylmethoxy)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

(7R)-N-(2,4-dimethylphenyl)-5-methyl-7-[4-(naphthalen-1-ylmethoxy)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 515.62 g/mol, XLogP of 6.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-N-(2,4-dimethylphenyl)-5-methyl-7-[4-(naphthalen-1-ylmethoxy)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135905917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).