2-[3-(4-fluorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]-N-(3-methoxycyclohexyl)acetamide

C23H24FN3O3 — CID 110224897

IUPAC2-[3-(4-fluorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]-N-(3-methoxycyclohexyl)acetamide
SMILESCOC1CCCC(NC(=O)Cn2cc(C(=O)c3ccc(F)cc3)c3ccncc32)C1
InChIInChI=1S/C23H24FN3O3/c1-30-18-4-2-3-17(11-18)26-22(28)14-27-13-20(19-9-10-25-12-21(19)27)23(29)15-5-7-16(24)8-6-15/h5-10,12-13,17-18H,2-4,11,14H2,1H3,(H,26,28)
InChIKeyWJCUCAPMUANWMK-UHFFFAOYSA-N
MW409.46 g/mol
LogP3.48
Rot. Bonds6

About 2-[3-(4-fluorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]-N-(3-methoxycyclohexyl)acetamide

2-[3-(4-fluorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]-N-(3-methoxycyclohexyl)acetamide (PubChem CID 110224897) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is 2-[3-(4-fluorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]-N-(3-methoxycyclohexyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-fluorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]-N-(3-methoxycyclohexyl)acetamide
PubChem CID110224897
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name2-[3-(4-fluorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]-N-(3-methoxycyclohexyl)acetamide
SMILESCOC1CCCC(NC(=O)Cn2cc(C(=O)c3ccc(F)cc3)c3ccncc32)C1
InChIInChI=1S/C23H24FN3O3/c1-30-18-4-2-3-17(11-18)26-22(28)14-27-13-20(19-9-10-25-12-21(19)27)23(29)15-5-7-16(24)8-6-15/h5-10,12-13,17-18H,2-4,11,14H2,1H3,(H,26,28)
InChIKeyWJCUCAPMUANWMK-UHFFFAOYSA-N
XLogP3.48
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]-N-(3-methoxycyclohexyl)acetamide?
The IUPAC name of 2-[3-(4-fluorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]-N-(3-methoxycyclohexyl)acetamide (CID 110224897) is 2-[3-(4-fluorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]-N-(3-methoxycyclohexyl)acetamide.
What is the SMILES notation for 2-[3-(4-fluorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]-N-(3-methoxycyclohexyl)acetamide?
The canonical SMILES for 2-[3-(4-fluorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]-N-(3-methoxycyclohexyl)acetamide is COC1CCCC(NC(=O)Cn2cc(C(=O)c3ccc(F)cc3)c3ccncc32)C1.
What is the InChIKey of 2-[3-(4-fluorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]-N-(3-methoxycyclohexyl)acetamide?
The InChIKey is WJCUCAPMUANWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-30-18-4-2-3-17(11-18)26-22(28)14-27-13-20(19-9-10-25-12-21(19)27)23(29)15-5-7-16(24)8-6-15/h5-10,12-13,17-18H,2-4,11,14H2,1H3,(H,26,28).
What are the key properties of 2-[3-(4-fluorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]-N-(3-methoxycyclohexyl)acetamide?
2-[3-(4-fluorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]-N-(3-methoxycyclohexyl)acetamide has a molecular weight of 409.46 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]-N-(3-methoxycyclohexyl)acetamide is sourced from PubChem (CID 110224897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).