5-[2-ethoxy-4-[methyl(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)carbamoyl]phenyl]-2-fluoro-N-methylbenzamide

C25H24FN5O3 — CID 165385024

IUPAC5-[2-ethoxy-4-[methyl(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)carbamoyl]phenyl]-2-fluoro-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2cncc3cn[nH]c23)ccc1-c1ccc(F)c(C(=O)NC)c1
InChIInChI=1S/C25H24FN5O3/c1-4-34-22-10-16(5-7-19(22)15-6-8-21(26)20(9-15)24(32)27-2)25(33)31(3)14-18-12-28-11-17-13-29-30-23(17)18/h5-13H,4,14H2,1-3H3,(H,27,32)(H,29,30)
InChIKeyXRAHHWQYXFPDEI-UHFFFAOYSA-N
MW461.50 g/mol
LogP3.79
Rot. Bonds7

About 5-[2-ethoxy-4-[methyl(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)carbamoyl]phenyl]-2-fluoro-N-methylbenzamide

5-[2-ethoxy-4-[methyl(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)carbamoyl]phenyl]-2-fluoro-N-methylbenzamide (PubChem CID 165385024) has the molecular formula C25H24FN5O3 and a molecular weight of 461.50 g/mol. Its IUPAC name is 5-[2-ethoxy-4-[methyl(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)carbamoyl]phenyl]-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name5-[2-ethoxy-4-[methyl(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)carbamoyl]phenyl]-2-fluoro-N-methylbenzamide
PubChem CID165385024
Molecular FormulaC25H24FN5O3
Molecular Weight461.50 g/mol
Exact Mass461.19
IUPAC Name5-[2-ethoxy-4-[methyl(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)carbamoyl]phenyl]-2-fluoro-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2cncc3cn[nH]c23)ccc1-c1ccc(F)c(C(=O)NC)c1
InChIInChI=1S/C25H24FN5O3/c1-4-34-22-10-16(5-7-19(22)15-6-8-21(26)20(9-15)24(32)27-2)25(33)31(3)14-18-12-28-11-17-13-29-30-23(17)18/h5-13H,4,14H2,1-3H3,(H,27,32)(H,29,30)
InChIKeyXRAHHWQYXFPDEI-UHFFFAOYSA-N
XLogP3.79
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-ethoxy-4-[methyl(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)carbamoyl]phenyl]-2-fluoro-N-methylbenzamide?
The IUPAC name of 5-[2-ethoxy-4-[methyl(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)carbamoyl]phenyl]-2-fluoro-N-methylbenzamide (CID 165385024) is 5-[2-ethoxy-4-[methyl(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)carbamoyl]phenyl]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 5-[2-ethoxy-4-[methyl(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)carbamoyl]phenyl]-2-fluoro-N-methylbenzamide?
The canonical SMILES for 5-[2-ethoxy-4-[methyl(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)carbamoyl]phenyl]-2-fluoro-N-methylbenzamide is CCOc1cc(C(=O)N(C)Cc2cncc3cn[nH]c23)ccc1-c1ccc(F)c(C(=O)NC)c1.
What is the InChIKey of 5-[2-ethoxy-4-[methyl(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)carbamoyl]phenyl]-2-fluoro-N-methylbenzamide?
The InChIKey is XRAHHWQYXFPDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O3/c1-4-34-22-10-16(5-7-19(22)15-6-8-21(26)20(9-15)24(32)27-2)25(33)31(3)14-18-12-28-11-17-13-29-30-23(17)18/h5-13H,4,14H2,1-3H3,(H,27,32)(H,29,30).
What are the key properties of 5-[2-ethoxy-4-[methyl(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)carbamoyl]phenyl]-2-fluoro-N-methylbenzamide?
5-[2-ethoxy-4-[methyl(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)carbamoyl]phenyl]-2-fluoro-N-methylbenzamide has a molecular weight of 461.50 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-ethoxy-4-[methyl(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)carbamoyl]phenyl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 165385024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).