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

C23H21FN4O2 — CID 165385435

IUPAC3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-b]pyridin-7-ylmethyl)benzamide
SMILESCCOc1cc(C(=O)N(C)Cc2ccnc3cn[nH]c23)ccc1-c1cccc(F)c1
InChIInChI=1S/C23H21FN4O2/c1-3-30-21-12-16(7-8-19(21)15-5-4-6-18(24)11-15)23(29)28(2)14-17-9-10-25-20-13-26-27-22(17)20/h4-13H,3,14H2,1-2H3,(H,26,27)
InChIKeyCPIUOCURULXWJM-UHFFFAOYSA-N
MW404.45 g/mol
LogP4.43
Rot. Bonds6

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

3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-b]pyridin-7-ylmethyl)benzamide (PubChem CID 165385435) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is 3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-b]pyridin-7-ylmethyl)benzamide.

Molecular Properties

Compound Name3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-b]pyridin-7-ylmethyl)benzamide
PubChem CID165385435
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-b]pyridin-7-ylmethyl)benzamide
SMILESCCOc1cc(C(=O)N(C)Cc2ccnc3cn[nH]c23)ccc1-c1cccc(F)c1
InChIInChI=1S/C23H21FN4O2/c1-3-30-21-12-16(7-8-19(21)15-5-4-6-18(24)11-15)23(29)28(2)14-17-9-10-25-20-13-26-27-22(17)20/h4-13H,3,14H2,1-2H3,(H,26,27)
InChIKeyCPIUOCURULXWJM-UHFFFAOYSA-N
XLogP4.43
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-b]pyridin-7-ylmethyl)benzamide?
The IUPAC name of 3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-b]pyridin-7-ylmethyl)benzamide (CID 165385435) is 3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-b]pyridin-7-ylmethyl)benzamide.
What is the SMILES notation for 3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-b]pyridin-7-ylmethyl)benzamide?
The canonical SMILES for 3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-b]pyridin-7-ylmethyl)benzamide is CCOc1cc(C(=O)N(C)Cc2ccnc3cn[nH]c23)ccc1-c1cccc(F)c1.
What is the InChIKey of 3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-b]pyridin-7-ylmethyl)benzamide?
The InChIKey is CPIUOCURULXWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-3-30-21-12-16(7-8-19(21)15-5-4-6-18(24)11-15)23(29)28(2)14-17-9-10-25-20-13-26-27-22(17)20/h4-13H,3,14H2,1-2H3,(H,26,27).
What are the key properties of 3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-b]pyridin-7-ylmethyl)benzamide?
3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-b]pyridin-7-ylmethyl)benzamide has a molecular weight of 404.45 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-b]pyridin-7-ylmethyl)benzamide is sourced from PubChem (CID 165385435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).