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

C27H23ClF2N6O2 — CID 156855081

IUPAC2-[bis(2-fluorophenyl)-hydroxymethyl]-6-chloro-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCCc1c(C(O)(c2ccccc2F)c2ccccc2F)nn2cc(Cl)c(C(=O)Nc3ncn(CC)n3)cc12
InChIInChI=1S/C27H23ClF2N6O2/c1-3-16-23-13-17(25(37)32-26-31-15-35(4-2)34-26)20(28)14-36(23)33-24(16)27(38,18-9-5-7-11-21(18)29)19-10-6-8-12-22(19)30/h5-15,38H,3-4H2,1-2H3,(H,32,34,37)
InChIKeyBJXIXFPSLZXPHO-UHFFFAOYSA-N
MW536.97 g/mol
LogP4.98
Rot. Bonds7

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

2-[bis(2-fluorophenyl)-hydroxymethyl]-6-chloro-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 156855081) has the molecular formula C27H23ClF2N6O2 and a molecular weight of 536.97 g/mol. Its IUPAC name is 2-[bis(2-fluorophenyl)-hydroxymethyl]-6-chloro-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]-6-chloro-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyridine-5-carboxamide
PubChem CID156855081
Molecular FormulaC27H23ClF2N6O2
Molecular Weight536.97 g/mol
Exact Mass536.15
IUPAC Name2-[bis(2-fluorophenyl)-hydroxymethyl]-6-chloro-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyridine-5-carboxamide
SMILESCCc1c(C(O)(c2ccccc2F)c2ccccc2F)nn2cc(Cl)c(C(=O)Nc3ncn(CC)n3)cc12
InChIInChI=1S/C27H23ClF2N6O2/c1-3-16-23-13-17(25(37)32-26-31-15-35(4-2)34-26)20(28)14-36(23)33-24(16)27(38,18-9-5-7-11-21(18)29)19-10-6-8-12-22(19)30/h5-15,38H,3-4H2,1-2H3,(H,32,34,37)
InChIKeyBJXIXFPSLZXPHO-UHFFFAOYSA-N
XLogP4.98
TPSA97.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.97
LogP ≤ 54.98
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]-6-chloro-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]-6-chloro-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyridine-5-carboxamide (CID 156855081) is 2-[bis(2-fluorophenyl)-hydroxymethyl]-6-chloro-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]-6-chloro-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]-6-chloro-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyridine-5-carboxamide is CCc1c(C(O)(c2ccccc2F)c2ccccc2F)nn2cc(Cl)c(C(=O)Nc3ncn(CC)n3)cc12.
What is the InChIKey of 2-[bis(2-fluorophenyl)-hydroxymethyl]-6-chloro-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyridine-5-carboxamide?
The InChIKey is BJXIXFPSLZXPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClF2N6O2/c1-3-16-23-13-17(25(37)32-26-31-15-35(4-2)34-26)20(28)14-36(23)33-24(16)27(38,18-9-5-7-11-21(18)29)19-10-6-8-12-22(19)30/h5-15,38H,3-4H2,1-2H3,(H,32,34,37).
What are the key properties of 2-[bis(2-fluorophenyl)-hydroxymethyl]-6-chloro-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyridine-5-carboxamide?
2-[bis(2-fluorophenyl)-hydroxymethyl]-6-chloro-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 536.97 g/mol, XLogP of 4.98, 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]-6-chloro-3-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)pyrazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 156855081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).