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

C27H27N7O2 — CID 3235849

IUPAC2-[4-(dimethylamino)phenyl]-N-(2-methoxyphenyl)-5-methyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccc(N(C)C)cc3)nn2C1c1ccncc1
InChIInChI=1S/C27H27N7O2/c1-17-23(26(35)30-21-7-5-6-8-22(21)36-4)24(18-13-15-28-16-14-18)34-27(29-17)31-25(32-34)19-9-11-20(12-10-19)33(2)3/h5-16,24H,1-4H3,(H,30,35)(H,29,31,32)
InChIKeyUWMGMAVKZCJNBI-UHFFFAOYSA-N
MW481.56 g/mol
LogP4.34
Rot. Bonds6

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

2-[4-(dimethylamino)phenyl]-N-(2-methoxyphenyl)-5-methyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 3235849) has the molecular formula C27H27N7O2 and a molecular weight of 481.56 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-N-(2-methoxyphenyl)-5-methyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-N-(2-methoxyphenyl)-5-methyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID3235849
Molecular FormulaC27H27N7O2
Molecular Weight481.56 g/mol
Exact Mass481.22
IUPAC Name2-[4-(dimethylamino)phenyl]-N-(2-methoxyphenyl)-5-methyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccc(N(C)C)cc3)nn2C1c1ccncc1
InChIInChI=1S/C27H27N7O2/c1-17-23(26(35)30-21-7-5-6-8-22(21)36-4)24(18-13-15-28-16-14-18)34-27(29-17)31-25(32-34)19-9-11-20(12-10-19)33(2)3/h5-16,24H,1-4H3,(H,30,35)(H,29,31,32)
InChIKeyUWMGMAVKZCJNBI-UHFFFAOYSA-N
XLogP4.34
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-N-(2-methoxyphenyl)-5-methyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-N-(2-methoxyphenyl)-5-methyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 3235849) is 2-[4-(dimethylamino)phenyl]-N-(2-methoxyphenyl)-5-methyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-N-(2-methoxyphenyl)-5-methyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-N-(2-methoxyphenyl)-5-methyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccc(N(C)C)cc3)nn2C1c1ccncc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-N-(2-methoxyphenyl)-5-methyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is UWMGMAVKZCJNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O2/c1-17-23(26(35)30-21-7-5-6-8-22(21)36-4)24(18-13-15-28-16-14-18)34-27(29-17)31-25(32-34)19-9-11-20(12-10-19)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]-N-(2-methoxyphenyl)-5-methyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
2-[4-(dimethylamino)phenyl]-N-(2-methoxyphenyl)-5-methyl-7-pyridin-4-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]-N-(2-methoxyphenyl)-5-methyl-7-pyridin-4-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3235849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).