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

C17H15ClF2N4O2 — CID 90118959

IUPAC2-[[3-chloro-4-(2,2-difluoroethoxy)phenyl]methyl]-N-methylpyrazolo[4,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1nccc2nn(Cc3ccc(OCC(F)F)c(Cl)c3)cc12
InChIInChI=1S/C17H15ClF2N4O2/c1-21-17(25)16-11-8-24(23-13(11)4-5-22-16)7-10-2-3-14(12(18)6-10)26-9-15(19)20/h2-6,8,15H,7,9H2,1H3,(H,21,25)
InChIKeySMXPSNRFYVXJRK-UHFFFAOYSA-N
MW380.78 g/mol
LogP3.14
Rot. Bonds6

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

2-[[3-chloro-4-(2,2-difluoroethoxy)phenyl]methyl]-N-methylpyrazolo[4,3-c]pyridine-4-carboxamide (PubChem CID 90118959) has the molecular formula C17H15ClF2N4O2 and a molecular weight of 380.78 g/mol. Its IUPAC name is 2-[[3-chloro-4-(2,2-difluoroethoxy)phenyl]methyl]-N-methylpyrazolo[4,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[[3-chloro-4-(2,2-difluoroethoxy)phenyl]methyl]-N-methylpyrazolo[4,3-c]pyridine-4-carboxamide
PubChem CID90118959
Molecular FormulaC17H15ClF2N4O2
Molecular Weight380.78 g/mol
Exact Mass380.09
IUPAC Name2-[[3-chloro-4-(2,2-difluoroethoxy)phenyl]methyl]-N-methylpyrazolo[4,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1nccc2nn(Cc3ccc(OCC(F)F)c(Cl)c3)cc12
InChIInChI=1S/C17H15ClF2N4O2/c1-21-17(25)16-11-8-24(23-13(11)4-5-22-16)7-10-2-3-14(12(18)6-10)26-9-15(19)20/h2-6,8,15H,7,9H2,1H3,(H,21,25)
InChIKeySMXPSNRFYVXJRK-UHFFFAOYSA-N
XLogP3.14
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.78
LogP ≤ 53.14
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-methylpyrazolo[4,3-c]pyridine-4-carboxamide?
The IUPAC name of 2-[[3-chloro-4-(2,2-difluoroethoxy)phenyl]methyl]-N-methylpyrazolo[4,3-c]pyridine-4-carboxamide (CID 90118959) is 2-[[3-chloro-4-(2,2-difluoroethoxy)phenyl]methyl]-N-methylpyrazolo[4,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 2-[[3-chloro-4-(2,2-difluoroethoxy)phenyl]methyl]-N-methylpyrazolo[4,3-c]pyridine-4-carboxamide?
The canonical SMILES for 2-[[3-chloro-4-(2,2-difluoroethoxy)phenyl]methyl]-N-methylpyrazolo[4,3-c]pyridine-4-carboxamide is CNC(=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-methylpyrazolo[4,3-c]pyridine-4-carboxamide?
The InChIKey is SMXPSNRFYVXJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2N4O2/c1-21-17(25)16-11-8-24(23-13(11)4-5-22-16)7-10-2-3-14(12(18)6-10)26-9-15(19)20/h2-6,8,15H,7,9H2,1H3,(H,21,25).
What are the key properties of 2-[[3-chloro-4-(2,2-difluoroethoxy)phenyl]methyl]-N-methylpyrazolo[4,3-c]pyridine-4-carboxamide?
2-[[3-chloro-4-(2,2-difluoroethoxy)phenyl]methyl]-N-methylpyrazolo[4,3-c]pyridine-4-carboxamide has a molecular weight of 380.78 g/mol, XLogP of 3.14, 6 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-methylpyrazolo[4,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 90118959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).