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

C28H26F2N6O2 — CID 156855057

IUPAC2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-6-methylpyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCCc1c(C(O)(c2ccccc2F)c2ccccc2F)nn2cc(C)c(C(=O)Nc3ncn(CC)n3)cc12
InChIInChI=1S/C28H26F2N6O2/c1-4-18-24-14-19(26(37)32-27-31-16-35(5-2)34-27)17(3)15-36(24)33-25(18)28(38,20-10-6-8-12-22(20)29)21-11-7-9-13-23(21)30/h6-16,38H,4-5H2,1-3H3,(H,32,34,37)
InChIKeyWIUMCSPICRSRPR-UHFFFAOYSA-N
MW516.55 g/mol
LogP4.63
Rot. Bonds7

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

2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-6-methylpyrazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 156855057) has the molecular formula C28H26F2N6O2 and a molecular weight of 516.55 g/mol. Its IUPAC name is 2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-6-methylpyrazolo[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-methylpyrazolo[1,5-a]pyridine-5-carboxamide
PubChem CID156855057
Molecular FormulaC28H26F2N6O2
Molecular Weight516.55 g/mol
Exact Mass516.21
IUPAC Name2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-6-methylpyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCCc1c(C(O)(c2ccccc2F)c2ccccc2F)nn2cc(C)c(C(=O)Nc3ncn(CC)n3)cc12
InChIInChI=1S/C28H26F2N6O2/c1-4-18-24-14-19(26(37)32-27-31-16-35(5-2)34-27)17(3)15-36(24)33-25(18)28(38,20-10-6-8-12-22(20)29)21-11-7-9-13-23(21)30/h6-16,38H,4-5H2,1-3H3,(H,32,34,37)
InChIKeyWIUMCSPICRSRPR-UHFFFAOYSA-N
XLogP4.63
TPSA97.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.55
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-methylpyrazolo[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-methylpyrazolo[1,5-a]pyridine-5-carboxamide (CID 156855057) is 2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-6-methylpyrazolo[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-methylpyrazolo[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-methylpyrazolo[1,5-a]pyridine-5-carboxamide is CCc1c(C(O)(c2ccccc2F)c2ccccc2F)nn2cc(C)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-methylpyrazolo[1,5-a]pyridine-5-carboxamide?
The InChIKey is WIUMCSPICRSRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F2N6O2/c1-4-18-24-14-19(26(37)32-27-31-16-35(5-2)34-27)17(3)15-36(24)33-25(18)28(38,20-10-6-8-12-22(20)29)21-11-7-9-13-23(21)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-methylpyrazolo[1,5-a]pyridine-5-carboxamide?
2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-6-methylpyrazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 516.55 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 7 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-methylpyrazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 156855057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).