4-(3-cyano-5-fluorophenyl)-3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide

C24H20FN5O2 — CID 165385207

IUPAC4-(3-cyano-5-fluorophenyl)-3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide
SMILESCCOc1cc(C(=O)N(C)Cc2cncc3cn[nH]c23)ccc1-c1cc(F)cc(C#N)c1
InChIInChI=1S/C24H20FN5O2/c1-3-32-22-9-16(4-5-21(22)17-6-15(10-26)7-20(25)8-17)24(31)30(2)14-19-12-27-11-18-13-28-29-23(18)19/h4-9,11-13H,3,14H2,1-2H3,(H,28,29)
InChIKeyJIIOPWZUXNPNJR-UHFFFAOYSA-N
MW429.46 g/mol
LogP4.31
Rot. Bonds6

About 4-(3-cyano-5-fluorophenyl)-3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide

4-(3-cyano-5-fluorophenyl)-3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide (PubChem CID 165385207) has the molecular formula C24H20FN5O2 and a molecular weight of 429.46 g/mol. Its IUPAC name is 4-(3-cyano-5-fluorophenyl)-3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(3-cyano-5-fluorophenyl)-3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide
PubChem CID165385207
Molecular FormulaC24H20FN5O2
Molecular Weight429.46 g/mol
Exact Mass429.16
IUPAC Name4-(3-cyano-5-fluorophenyl)-3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide
SMILESCCOc1cc(C(=O)N(C)Cc2cncc3cn[nH]c23)ccc1-c1cc(F)cc(C#N)c1
InChIInChI=1S/C24H20FN5O2/c1-3-32-22-9-16(4-5-21(22)17-6-15(10-26)7-20(25)8-17)24(31)30(2)14-19-12-27-11-18-13-28-29-23(18)19/h4-9,11-13H,3,14H2,1-2H3,(H,28,29)
InChIKeyJIIOPWZUXNPNJR-UHFFFAOYSA-N
XLogP4.31
TPSA94.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyano-5-fluorophenyl)-3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide?
The IUPAC name of 4-(3-cyano-5-fluorophenyl)-3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide (CID 165385207) is 4-(3-cyano-5-fluorophenyl)-3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide.
What is the SMILES notation for 4-(3-cyano-5-fluorophenyl)-3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide?
The canonical SMILES for 4-(3-cyano-5-fluorophenyl)-3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide is CCOc1cc(C(=O)N(C)Cc2cncc3cn[nH]c23)ccc1-c1cc(F)cc(C#N)c1.
What is the InChIKey of 4-(3-cyano-5-fluorophenyl)-3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide?
The InChIKey is JIIOPWZUXNPNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O2/c1-3-32-22-9-16(4-5-21(22)17-6-15(10-26)7-20(25)8-17)24(31)30(2)14-19-12-27-11-18-13-28-29-23(18)19/h4-9,11-13H,3,14H2,1-2H3,(H,28,29).
What are the key properties of 4-(3-cyano-5-fluorophenyl)-3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide?
4-(3-cyano-5-fluorophenyl)-3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide has a molecular weight of 429.46 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyano-5-fluorophenyl)-3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide is sourced from PubChem (CID 165385207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).