3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide

C28H28N6O3 — CID 168678807

IUPAC3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCCc1c(C(O)(c2ccccc2)c2ccccc2)nn2cc(OC)c(C(=O)Nc3ncn(CC)n3)cc12
InChIInChI=1S/C28H28N6O3/c1-4-21-23-16-22(26(35)30-27-29-18-33(5-2)32-27)24(37-3)17-34(23)31-25(21)28(36,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-18,36H,4-5H2,1-3H3,(H,30,32,35)
InChIKeyQTZCIBQCVWGMHS-UHFFFAOYSA-N
MW496.57 g/mol
LogP4.05
Rot. Bonds8

About 3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide

3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 168678807) has the molecular formula C28H28N6O3 and a molecular weight of 496.57 g/mol. Its IUPAC name is 3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide
PubChem CID168678807
Molecular FormulaC28H28N6O3
Molecular Weight496.57 g/mol
Exact Mass496.22
IUPAC Name3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCCc1c(C(O)(c2ccccc2)c2ccccc2)nn2cc(OC)c(C(=O)Nc3ncn(CC)n3)cc12
InChIInChI=1S/C28H28N6O3/c1-4-21-23-16-22(26(35)30-27-29-18-33(5-2)32-27)24(37-3)17-34(23)31-25(21)28(36,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-18,36H,4-5H2,1-3H3,(H,30,32,35)
InChIKeyQTZCIBQCVWGMHS-UHFFFAOYSA-N
XLogP4.05
TPSA106.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of 3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide (CID 168678807) is 3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for 3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for 3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide is CCc1c(C(O)(c2ccccc2)c2ccccc2)nn2cc(OC)c(C(=O)Nc3ncn(CC)n3)cc12.
What is the InChIKey of 3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide?
The InChIKey is QTZCIBQCVWGMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O3/c1-4-21-23-16-22(26(35)30-27-29-18-33(5-2)32-27)24(37-3)17-34(23)31-25(21)28(36,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-18,36H,4-5H2,1-3H3,(H,30,32,35).
What are the key properties of 3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide?
3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 496.57 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 168678807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).