3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-(4-methoxyphenyl)-8-methyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

C26H27N5O4 — CID 66608729

IUPAC3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-(4-methoxyphenyl)-8-methyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCOc1ccc(NC(=O)C2(C)CCCn3c(-c4ccc(-c5cnc(C)o5)c(OC)c4)nnc32)cc1
InChIInChI=1S/C26H27N5O4/c1-16-27-15-22(35-16)20-11-6-17(14-21(20)34-4)23-29-30-24-26(2,12-5-13-31(23)24)25(32)28-18-7-9-19(33-3)10-8-18/h6-11,14-15H,5,12-13H2,1-4H3,(H,28,32)
InChIKeyXEPBCWOZWAXLCX-UHFFFAOYSA-N
MW473.53 g/mol
LogP4.62
Rot. Bonds6

About 3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-(4-methoxyphenyl)-8-methyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-(4-methoxyphenyl)-8-methyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 66608729) has the molecular formula C26H27N5O4 and a molecular weight of 473.53 g/mol. Its IUPAC name is 3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-(4-methoxyphenyl)-8-methyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-(4-methoxyphenyl)-8-methyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID66608729
Molecular FormulaC26H27N5O4
Molecular Weight473.53 g/mol
Exact Mass473.21
IUPAC Name3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-(4-methoxyphenyl)-8-methyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCOc1ccc(NC(=O)C2(C)CCCn3c(-c4ccc(-c5cnc(C)o5)c(OC)c4)nnc32)cc1
InChIInChI=1S/C26H27N5O4/c1-16-27-15-22(35-16)20-11-6-17(14-21(20)34-4)23-29-30-24-26(2,12-5-13-31(23)24)25(32)28-18-7-9-19(33-3)10-8-18/h6-11,14-15H,5,12-13H2,1-4H3,(H,28,32)
InChIKeyXEPBCWOZWAXLCX-UHFFFAOYSA-N
XLogP4.62
TPSA104.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-(4-methoxyphenyl)-8-methyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

ethyl 8-(4-chlorophenoxy)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 66604149
8-(3,4-dichlorophenyl)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 66603930
2-[8-[4-(difluoromethyl)phenoxy]-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
CID 123929525
1-[8-[(3,4-difluorophenyl)methyl]-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanol
CID 66604129
2-[3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-8-(3,4,5-trifluorophenoxy)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
CID 66604261
2-[(8R)-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-8-(3,4,5-trifluorophenoxy)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
CID 56837196
2-[3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-8-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
CID 66604148
8-[(3,4-difluorophenyl)methyl]-3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 66604236
ethyl 3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 66608236
5-[4-[8-(3,4-difluorophenyl)-8-(2-methylbutoxy)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-methoxyphenyl]-2-methyl-1,3-oxazole
CID 66603789
4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-(3-methoxyphenyl)-1,4-diazepane-1-carboxamide
CID 70802523
1-(4-methoxyphenyl)-3-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]urea
CID 7566183

Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-(4-methoxyphenyl)-8-methyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of 3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-(4-methoxyphenyl)-8-methyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 66608729) is 3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-(4-methoxyphenyl)-8-methyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for 3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-(4-methoxyphenyl)-8-methyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for 3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-(4-methoxyphenyl)-8-methyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is COc1ccc(NC(=O)C2(C)CCCn3c(-c4ccc(-c5cnc(C)o5)c(OC)c4)nnc32)cc1.
What is the InChIKey of 3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-(4-methoxyphenyl)-8-methyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is XEPBCWOZWAXLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O4/c1-16-27-15-22(35-16)20-11-6-17(14-21(20)34-4)23-29-30-24-26(2,12-5-13-31(23)24)25(32)28-18-7-9-19(33-3)10-8-18/h6-11,14-15H,5,12-13H2,1-4H3,(H,28,32).
What are the key properties of 3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-(4-methoxyphenyl)-8-methyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-(4-methoxyphenyl)-8-methyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 473.53 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-(4-methoxyphenyl)-8-methyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 66608729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).