2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide

C28H26F2N6O3 — CID 156855115

IUPAC2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCCc1c(C(O)(c2ccccc2F)c2ccccc2F)nn2cc(OC)c(C(=O)Nc3ncn(CC)n3)cc12
InChIInChI=1S/C28H26F2N6O3/c1-4-17-23-14-18(26(37)32-27-31-16-35(5-2)34-27)24(39-3)15-36(23)33-25(17)28(38,19-10-6-8-12-21(19)29)20-11-7-9-13-22(20)30/h6-16,38H,4-5H2,1-3H3,(H,32,34,37)
InChIKeyVWUXDEFQGWEJHI-UHFFFAOYSA-N
MW532.55 g/mol
LogP4.33
Rot. Bonds8

About 2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide

2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 156855115) has the molecular formula C28H26F2N6O3 and a molecular weight of 532.55 g/mol. Its IUPAC name is 2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide
PubChem CID156855115
Molecular FormulaC28H26F2N6O3
Molecular Weight532.55 g/mol
Exact Mass532.20
IUPAC Name2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCCc1c(C(O)(c2ccccc2F)c2ccccc2F)nn2cc(OC)c(C(=O)Nc3ncn(CC)n3)cc12
InChIInChI=1S/C28H26F2N6O3/c1-4-17-23-14-18(26(37)32-27-31-16-35(5-2)34-27)24(39-3)15-36(23)33-25(17)28(38,19-10-6-8-12-21(19)29)20-11-7-9-13-22(20)30/h6-16,38H,4-5H2,1-3H3,(H,32,34,37)
InChIKeyVWUXDEFQGWEJHI-UHFFFAOYSA-N
XLogP4.33
TPSA106.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.55
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of 2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide (CID 156855115) is 2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for 2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for 2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide is CCc1c(C(O)(c2ccccc2F)c2ccccc2F)nn2cc(OC)c(C(=O)Nc3ncn(CC)n3)cc12.
What is the InChIKey of 2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide?
The InChIKey is VWUXDEFQGWEJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F2N6O3/c1-4-17-23-14-18(26(37)32-27-31-16-35(5-2)34-27)24(39-3)15-36(23)33-25(17)28(38,19-10-6-8-12-21(19)29)20-11-7-9-13-22(20)30/h6-16,38H,4-5H2,1-3H3,(H,32,34,37).
What are the key properties of 2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide?
2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 532.55 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-6-methoxypyrazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 156855115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).