N-[2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;1-methyl-4-(morpholine-4-carbonyl)-N-[2-[3-(tritritiomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide;tritiomethane

C46H48N14O8 — CID 158739978

About N-[2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;1-methyl-4-(morpholine-4-carbonyl)-N-[2-[3-(tritritiomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide;tritiomethane

N-[2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;1-methyl-4-(morpholine-4-carbonyl)-N-[2-[3-(tritritiomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide;tritiomethane (PubChem CID 158739978) has the molecular formula C46H48N14O8 and a molecular weight of 933.01 g/mol. Its IUPAC name is N-[2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;1-methyl-4-(morpholine-4-carbonyl)-N-[2-[3-(tritritiomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide;tritiomethane.

Molecular Properties

• Compound Name: N-[2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;1-methyl-4-(morpholine-4-carbonyl)-N-[2-[3-(tritritiomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide;tritiomethane
• PubChem CID: 158739978
• Molecular Formula: C46H48N14O8
• Molecular Weight: 933.01 g/mol
• Exact Mass: 932.41
• IUPAC Name: N-[2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;1-methyl-4-(morpholine-4-carbonyl)-N-[2-[3-(tritritiomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide;tritiomethane
• SMILES: Cn1ncc(C(=O)N2CCOCC2)c1C(=O)Nc1ccn2nc(-c3cccc(O)c3)nc2c1.[3H]C.[3H]C([3H])([3H])Oc1cccc(-c2nc3cc(NC(=O)c4c(C(=O)N5CCOCC5)cnn4C)ccn3n2)c1
• InChI: InChI=1S/C23H23N7O4.C22H21N7O4.CH4/c1-28-20(18(14-24-28)23(32)29-8-10-34-11-9-29)22(31)25-16-6-7-30-19(13-16)26-21(27-30)15-4-3-5-17(12-15)33-2;1-27-19(17(13-23-27)22(32)28-7-9-33-10-8-28)21(31)24-15-5-6-29-18(12-15)25-20(26-29)14-3-2-4-16(30)11-14;/h3-7,12-14H,8-11H2,1-2H3,(H,25,31);2-6,11-13,30H,7-10H2,1H3,(H,24,31);1H4/i2T3;;1T
• InChIKey: IMDZDOYUQRHEDB-OUTMUGEZSA-N
• XLogP: 4.06
• TPSA: 242.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	933.01
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;1-methyl-4-(morpholine-4-carbonyl)-N-[2-[3-(tritritiomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide;tritiomethane?

The IUPAC name of N-[2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;1-methyl-4-(morpholine-4-carbonyl)-N-[2-[3-(tritritiomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide;tritiomethane (CID 158739978) is N-[2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;1-methyl-4-(morpholine-4-carbonyl)-N-[2-[3-(tritritiomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide;tritiomethane.

What is the SMILES notation for N-[2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;1-methyl-4-(morpholine-4-carbonyl)-N-[2-[3-(tritritiomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide;tritiomethane?

The canonical SMILES for N-[2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;1-methyl-4-(morpholine-4-carbonyl)-N-[2-[3-(tritritiomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide;tritiomethane is Cn1ncc(C(=O)N2CCOCC2)c1C(=O)Nc1ccn2nc(-c3cccc(O)c3)nc2c1.[3H]C.[3H]C([3H])([3H])Oc1cccc(-c2nc3cc(NC(=O)c4c(C(=O)N5CCOCC5)cnn4C)ccn3n2)c1.

What is the InChIKey of N-[2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;1-methyl-4-(morpholine-4-carbonyl)-N-[2-[3-(tritritiomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide;tritiomethane?

The InChIKey is IMDZDOYUQRHEDB-OUTMUGEZSA-N. The full InChI is InChI=1S/C23H23N7O4.C22H21N7O4.CH4/c1-28-20(18(14-24-28)23(32)29-8-10-34-11-9-29)22(31)25-16-6-7-30-19(13-16)26-21(27-30)15-4-3-5-17(12-15)33-2;1-27-19(17(13-23-27)22(32)28-7-9-33-10-8-28)21(31)24-15-5-6-29-18(12-15)25-20(26-29)14-3-2-4-16(30)11-14;/h3-7,12-14H,8-11H2,1-2H3,(H,25,31);2-6,11-13,30H,7-10H2,1H3,(H,24,31);1H4/i2T3;;1T.

What are the key properties of N-[2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;1-methyl-4-(morpholine-4-carbonyl)-N-[2-[3-(tritritiomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide;tritiomethane?

N-[2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;1-methyl-4-(morpholine-4-carbonyl)-N-[2-[3-(tritritiomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide;tritiomethane has a molecular weight of 933.01 g/mol, XLogP of 4.06, 10 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide;1-methyl-4-(morpholine-4-carbonyl)-N-[2-[3-(tritritiomethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyrazole-5-carboxamide;tritiomethane is sourced from PubChem (CID 158739978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).