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

C27H24F2N6O2 — CID 156855106

IUPAC2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCCc1c(C(O)(c2ccccc2F)c2ccccc2F)nn2ccc(C(=O)Nc3ncn(CC)n3)cc12
InChIInChI=1S/C27H24F2N6O2/c1-3-18-23-15-17(25(36)31-26-30-16-34(4-2)33-26)13-14-35(23)32-24(18)27(37,19-9-5-7-11-21(19)28)20-10-6-8-12-22(20)29/h5-16,37H,3-4H2,1-2H3,(H,31,33,36)
InChIKeyUCXLWQDKBBPMQD-UHFFFAOYSA-N
MW502.53 g/mol
LogP4.32
Rot. Bonds7

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

2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 156855106) has the molecular formula C27H24F2N6O2 and a molecular weight of 502.53 g/mol. Its IUPAC name is 2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)pyrazolo[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)pyrazolo[1,5-a]pyridine-5-carboxamide
PubChem CID156855106
Molecular FormulaC27H24F2N6O2
Molecular Weight502.53 g/mol
Exact Mass502.19
IUPAC Name2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCCc1c(C(O)(c2ccccc2F)c2ccccc2F)nn2ccc(C(=O)Nc3ncn(CC)n3)cc12
InChIInChI=1S/C27H24F2N6O2/c1-3-18-23-15-17(25(36)31-26-30-16-34(4-2)33-26)13-14-35(23)32-24(18)27(37,19-9-5-7-11-21(19)28)20-10-6-8-12-22(20)29/h5-16,37H,3-4H2,1-2H3,(H,31,33,36)
InChIKeyUCXLWQDKBBPMQD-UHFFFAOYSA-N
XLogP4.32
TPSA97.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.53
LogP ≤ 54.32
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)pyrazolo[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)pyrazolo[1,5-a]pyridine-5-carboxamide (CID 156855106) is 2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)pyrazolo[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)pyrazolo[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)pyrazolo[1,5-a]pyridine-5-carboxamide is CCc1c(C(O)(c2ccccc2F)c2ccccc2F)nn2ccc(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)pyrazolo[1,5-a]pyridine-5-carboxamide?
The InChIKey is UCXLWQDKBBPMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N6O2/c1-3-18-23-15-17(25(36)31-26-30-16-34(4-2)33-26)13-14-35(23)32-24(18)27(37,19-9-5-7-11-21(19)28)20-10-6-8-12-22(20)29/h5-16,37H,3-4H2,1-2H3,(H,31,33,36).
What are the key properties of 2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyridine-5-carboxamide?
2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 502.53 g/mol, XLogP of 4.32, 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)pyrazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 156855106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).