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

C25H23N7O2 — CID 135723352

IUPAC7-(2-ethoxyphenyl)-5-methyl-N,2-dipyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCOc1ccccc1C1C(C(=O)Nc2cccnc2)=C(C)Nc2nc(-c3cccnc3)nn21
InChIInChI=1S/C25H23N7O2/c1-3-34-20-11-5-4-10-19(20)22-21(24(33)29-18-9-7-13-27-15-18)16(2)28-25-30-23(31-32(22)25)17-8-6-12-26-14-17/h4-15,22H,3H2,1-2H3,(H,29,33)(H,28,30,31)
InChIKeyOFIMYSSKGZMDHY-UHFFFAOYSA-N
MW453.51 g/mol
LogP4.06
Rot. Bonds6

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

7-(2-ethoxyphenyl)-5-methyl-N,2-dipyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135723352) has the molecular formula C25H23N7O2 and a molecular weight of 453.51 g/mol. Its IUPAC name is 7-(2-ethoxyphenyl)-5-methyl-N,2-dipyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(2-ethoxyphenyl)-5-methyl-N,2-dipyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135723352
Molecular FormulaC25H23N7O2
Molecular Weight453.51 g/mol
Exact Mass453.19
IUPAC Name7-(2-ethoxyphenyl)-5-methyl-N,2-dipyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCOc1ccccc1C1C(C(=O)Nc2cccnc2)=C(C)Nc2nc(-c3cccnc3)nn21
InChIInChI=1S/C25H23N7O2/c1-3-34-20-11-5-4-10-19(20)22-21(24(33)29-18-9-7-13-27-15-18)16(2)28-25-30-23(31-32(22)25)17-8-6-12-26-14-17/h4-15,22H,3H2,1-2H3,(H,29,33)(H,28,30,31)
InChIKeyOFIMYSSKGZMDHY-UHFFFAOYSA-N
XLogP4.06
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

7-(2-ethoxyphenyl)-2-(3-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135573780
2-(3-chlorophenyl)-7-(2-ethoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135759392
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
7-(2-methoxyphenyl)-5-methyl-2-phenyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135581046
2-(4-chlorophenyl)-7-(2-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135739918
(7R)-7-(2-chlorophenyl)-2-(4-ethoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135877485
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
2-[4-(dimethylamino)phenyl]-7-(2-ethoxyphenyl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135698606
2-(4-ethoxyphenyl)-5-methyl-N-pyridin-3-yl-7-(2,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135838941
7-(2-methoxyphenyl)-5-methyl-2-(4-nitrophenyl)-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135610412
methyl (7R)-7-(2-ethoxyphenyl)-5-methyl-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 1192274
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

Frequently Asked Questions

What is the IUPAC name of 7-(2-ethoxyphenyl)-5-methyl-N,2-dipyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(2-ethoxyphenyl)-5-methyl-N,2-dipyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135723352) is 7-(2-ethoxyphenyl)-5-methyl-N,2-dipyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(2-ethoxyphenyl)-5-methyl-N,2-dipyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(2-ethoxyphenyl)-5-methyl-N,2-dipyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CCOc1ccccc1C1C(C(=O)Nc2cccnc2)=C(C)Nc2nc(-c3cccnc3)nn21.
What is the InChIKey of 7-(2-ethoxyphenyl)-5-methyl-N,2-dipyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is OFIMYSSKGZMDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O2/c1-3-34-20-11-5-4-10-19(20)22-21(24(33)29-18-9-7-13-27-15-18)16(2)28-25-30-23(31-32(22)25)17-8-6-12-26-14-17/h4-15,22H,3H2,1-2H3,(H,29,33)(H,28,30,31).
What are the key properties of 7-(2-ethoxyphenyl)-5-methyl-N,2-dipyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
7-(2-ethoxyphenyl)-5-methyl-N,2-dipyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 453.51 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-ethoxyphenyl)-5-methyl-N,2-dipyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135723352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).