2-[[3-chloro-4-(2,2-difluoroethoxy)phenyl]methyl]-N-ethylpyrazolo[4,3-c]pyridine-4-carboxamide

C18H17ClF2N4O2 — CID 90119052

IUPAC2-[[3-chloro-4-(2,2-difluoroethoxy)phenyl]methyl]-N-ethylpyrazolo[4,3-c]pyridine-4-carboxamide
SMILESCCNC(=O)c1nccc2nn(Cc3ccc(OCC(F)F)c(Cl)c3)cc12
InChIInChI=1S/C18H17ClF2N4O2/c1-2-22-18(26)17-12-9-25(24-14(12)5-6-23-17)8-11-3-4-15(13(19)7-11)27-10-16(20)21/h3-7,9,16H,2,8,10H2,1H3,(H,22,26)
InChIKeyVRVJRHTXZDFFHT-UHFFFAOYSA-N
MW394.81 g/mol
LogP3.53
Rot. Bonds7

About 2-[[3-chloro-4-(2,2-difluoroethoxy)phenyl]methyl]-N-ethylpyrazolo[4,3-c]pyridine-4-carboxamide

2-[[3-chloro-4-(2,2-difluoroethoxy)phenyl]methyl]-N-ethylpyrazolo[4,3-c]pyridine-4-carboxamide (PubChem CID 90119052) has the molecular formula C18H17ClF2N4O2 and a molecular weight of 394.81 g/mol. Its IUPAC name is 2-[[3-chloro-4-(2,2-difluoroethoxy)phenyl]methyl]-N-ethylpyrazolo[4,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[[3-chloro-4-(2,2-difluoroethoxy)phenyl]methyl]-N-ethylpyrazolo[4,3-c]pyridine-4-carboxamide
PubChem CID90119052
Molecular FormulaC18H17ClF2N4O2
Molecular Weight394.81 g/mol
Exact Mass394.10
IUPAC Name2-[[3-chloro-4-(2,2-difluoroethoxy)phenyl]methyl]-N-ethylpyrazolo[4,3-c]pyridine-4-carboxamide
SMILESCCNC(=O)c1nccc2nn(Cc3ccc(OCC(F)F)c(Cl)c3)cc12
InChIInChI=1S/C18H17ClF2N4O2/c1-2-22-18(26)17-12-9-25(24-14(12)5-6-23-17)8-11-3-4-15(13(19)7-11)27-10-16(20)21/h3-7,9,16H,2,8,10H2,1H3,(H,22,26)
InChIKeyVRVJRHTXZDFFHT-UHFFFAOYSA-N
XLogP3.53
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.81
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-4-(2,2-difluoroethoxy)phenyl]methyl]-N-ethylpyrazolo[4,3-c]pyridine-4-carboxamide?
The IUPAC name of 2-[[3-chloro-4-(2,2-difluoroethoxy)phenyl]methyl]-N-ethylpyrazolo[4,3-c]pyridine-4-carboxamide (CID 90119052) is 2-[[3-chloro-4-(2,2-difluoroethoxy)phenyl]methyl]-N-ethylpyrazolo[4,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 2-[[3-chloro-4-(2,2-difluoroethoxy)phenyl]methyl]-N-ethylpyrazolo[4,3-c]pyridine-4-carboxamide?
The canonical SMILES for 2-[[3-chloro-4-(2,2-difluoroethoxy)phenyl]methyl]-N-ethylpyrazolo[4,3-c]pyridine-4-carboxamide is CCNC(=O)c1nccc2nn(Cc3ccc(OCC(F)F)c(Cl)c3)cc12.
What is the InChIKey of 2-[[3-chloro-4-(2,2-difluoroethoxy)phenyl]methyl]-N-ethylpyrazolo[4,3-c]pyridine-4-carboxamide?
The InChIKey is VRVJRHTXZDFFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N4O2/c1-2-22-18(26)17-12-9-25(24-14(12)5-6-23-17)8-11-3-4-15(13(19)7-11)27-10-16(20)21/h3-7,9,16H,2,8,10H2,1H3,(H,22,26).
What are the key properties of 2-[[3-chloro-4-(2,2-difluoroethoxy)phenyl]methyl]-N-ethylpyrazolo[4,3-c]pyridine-4-carboxamide?
2-[[3-chloro-4-(2,2-difluoroethoxy)phenyl]methyl]-N-ethylpyrazolo[4,3-c]pyridine-4-carboxamide has a molecular weight of 394.81 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-4-(2,2-difluoroethoxy)phenyl]methyl]-N-ethylpyrazolo[4,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 90119052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).