2-[1-[(2-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]-N-(4-methoxyphenyl)acetamide

C23H20FN3O3 — CID 53164302

IUPAC2-[1-[(2-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2ccc3ccn(Cc4ccccc4F)c3c2=O)cc1
InChIInChI=1S/C23H20FN3O3/c1-30-19-8-6-18(7-9-19)25-21(28)15-27-13-11-16-10-12-26(22(16)23(27)29)14-17-4-2-3-5-20(17)24/h2-13H,14-15H2,1H3,(H,25,28)
InChIKeyUXXMSWYLOYXCSX-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.64
Rot. Bonds6

About 2-[1-[(2-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]-N-(4-methoxyphenyl)acetamide

2-[1-[(2-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 53164302) has the molecular formula C23H20FN3O3 and a molecular weight of 405.43 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID53164302
Molecular FormulaC23H20FN3O3
Molecular Weight405.43 g/mol
Exact Mass405.15
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2ccc3ccn(Cc4ccccc4F)c3c2=O)cc1
InChIInChI=1S/C23H20FN3O3/c1-30-19-8-6-18(7-9-19)25-21(28)15-27-13-11-16-10-12-26(22(16)23(27)29)14-17-4-2-3-5-20(17)24/h2-13H,14-15H2,1H3,(H,25,28)
InChIKeyUXXMSWYLOYXCSX-UHFFFAOYSA-N
XLogP3.64
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-[1-[(2-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 52906452
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 15993712
methyl 4-[[2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetyl]amino]benzoate
CID 166596703
N-[(4-methoxyphenyl)methyl]-2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 52906439
2-(1-benzyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)-N-(3,4-difluorophenyl)acetamide
CID 53164239
methyl 2-[[2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetyl]amino]benzoate
CID 53164273
N-(4-ethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 53164326
2-(3-amino-2-oxo-1-pyridinyl)-N-(4-methoxyphenyl)acetamide
CID 62102933
2-[2,3-dioxo-4-(2-phenylethyl)pyrazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 22423901
4-[[2-(2-fluorophenyl)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2677119
N-(2,5-dimethylphenyl)-2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 53164282
N-(3,5-dimethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 53164338

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]-N-(4-methoxyphenyl)acetamide (CID 53164302) is 2-[1-[(2-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2ccc3ccn(Cc4ccccc4F)c3c2=O)cc1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is UXXMSWYLOYXCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3/c1-30-19-8-6-18(7-9-19)25-21(28)15-27-13-11-16-10-12-26(22(16)23(27)29)14-17-4-2-3-5-20(17)24/h2-13H,14-15H2,1H3,(H,25,28).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]-N-(4-methoxyphenyl)acetamide?
2-[1-[(2-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 405.43 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 53164302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).