2-(4-fluorophenyl)-N-[4-[3-(furan-3-yl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide

C26H21FN4O3 — CID 162687067

IUPAC2-(4-fluorophenyl)-N-[4-[3-(furan-3-yl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide
SMILESCC(C(=O)Nc1cc(-c2[nH]c3ccn(C)c(=O)c3c2-c2ccoc2)ccn1)c1ccc(F)cc1
InChIInChI=1S/C26H21FN4O3/c1-15(16-3-5-19(27)6-4-16)25(32)30-21-13-17(7-10-28-21)24-22(18-9-12-34-14-18)23-20(29-24)8-11-31(2)26(23)33/h3-15,29H,1-2H3,(H,28,30,32)
InChIKeyKVANAHYNCXXVFJ-UHFFFAOYSA-N
MW456.48 g/mol
LogP5.07
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[4-[3-(furan-3-yl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide

2-(4-fluorophenyl)-N-[4-[3-(furan-3-yl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide (PubChem CID 162687067) has the molecular formula C26H21FN4O3 and a molecular weight of 456.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-[3-(furan-3-yl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[4-[3-(furan-3-yl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide
PubChem CID162687067
Molecular FormulaC26H21FN4O3
Molecular Weight456.48 g/mol
Exact Mass456.16
IUPAC Name2-(4-fluorophenyl)-N-[4-[3-(furan-3-yl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide
SMILESCC(C(=O)Nc1cc(-c2[nH]c3ccn(C)c(=O)c3c2-c2ccoc2)ccn1)c1ccc(F)cc1
InChIInChI=1S/C26H21FN4O3/c1-15(16-3-5-19(27)6-4-16)25(32)30-21-13-17(7-10-28-21)24-22(18-9-12-34-14-18)23-20(29-24)8-11-31(2)26(23)33/h3-15,29H,1-2H3,(H,28,30,32)
InChIKeyKVANAHYNCXXVFJ-UHFFFAOYSA-N
XLogP5.07
TPSA92.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.48
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[4-[3-(furan-3-yl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[4-[3-(furan-3-yl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide (CID 162687067) is 2-(4-fluorophenyl)-N-[4-[3-(furan-3-yl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[4-[3-(furan-3-yl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[4-[3-(furan-3-yl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide is CC(C(=O)Nc1cc(-c2[nH]c3ccn(C)c(=O)c3c2-c2ccoc2)ccn1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[4-[3-(furan-3-yl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide?
The InChIKey is KVANAHYNCXXVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN4O3/c1-15(16-3-5-19(27)6-4-16)25(32)30-21-13-17(7-10-28-21)24-22(18-9-12-34-14-18)23-20(29-24)8-11-31(2)26(23)33/h3-15,29H,1-2H3,(H,28,30,32).
What are the key properties of 2-(4-fluorophenyl)-N-[4-[3-(furan-3-yl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide?
2-(4-fluorophenyl)-N-[4-[3-(furan-3-yl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide has a molecular weight of 456.48 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[4-[3-(furan-3-yl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide is sourced from PubChem (CID 162687067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).