3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methyl-4-phenylbenzamide

C24H23FN4O2 — CID 165385067

IUPAC3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methyl-4-phenylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2cnc(CF)c3cn[nH]c23)ccc1-c1ccccc1
InChIInChI=1S/C24H23FN4O2/c1-3-31-22-11-17(9-10-19(22)16-7-5-4-6-8-16)24(30)29(2)15-18-13-26-21(12-25)20-14-27-28-23(18)20/h4-11,13-14H,3,12,15H2,1-2H3,(H,27,28)
InChIKeyFJAQHWVDALNIOB-UHFFFAOYSA-N
MW418.47 g/mol
LogP4.77
Rot. Bonds7

About 3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methyl-4-phenylbenzamide

3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methyl-4-phenylbenzamide (PubChem CID 165385067) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methyl-4-phenylbenzamide.

Molecular Properties

Compound Name3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methyl-4-phenylbenzamide
PubChem CID165385067
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methyl-4-phenylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2cnc(CF)c3cn[nH]c23)ccc1-c1ccccc1
InChIInChI=1S/C24H23FN4O2/c1-3-31-22-11-17(9-10-19(22)16-7-5-4-6-8-16)24(30)29(2)15-18-13-26-21(12-25)20-14-27-28-23(18)20/h4-11,13-14H,3,12,15H2,1-2H3,(H,27,28)
InChIKeyFJAQHWVDALNIOB-UHFFFAOYSA-N
XLogP4.77
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methyl-4-phenylbenzamide?
The IUPAC name of 3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methyl-4-phenylbenzamide (CID 165385067) is 3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methyl-4-phenylbenzamide.
What is the SMILES notation for 3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methyl-4-phenylbenzamide?
The canonical SMILES for 3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methyl-4-phenylbenzamide is CCOc1cc(C(=O)N(C)Cc2cnc(CF)c3cn[nH]c23)ccc1-c1ccccc1.
What is the InChIKey of 3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methyl-4-phenylbenzamide?
The InChIKey is FJAQHWVDALNIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-3-31-22-11-17(9-10-19(22)16-7-5-4-6-8-16)24(30)29(2)15-18-13-26-21(12-25)20-14-27-28-23(18)20/h4-11,13-14H,3,12,15H2,1-2H3,(H,27,28).
What are the key properties of 3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methyl-4-phenylbenzamide?
3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methyl-4-phenylbenzamide has a molecular weight of 418.47 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methyl-4-phenylbenzamide is sourced from PubChem (CID 165385067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).