[3-[(4-chlorophenyl)methoxy]-2-(2-fluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

C23H18ClFN2O3 — CID 24951651

IUPAC[3-[(4-chlorophenyl)methoxy]-2-(2-fluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESO=C(c1cccc(OCc2ccc(Cl)cc2)c1OCCF)c1c[nH]c2ncccc12
InChIInChI=1S/C23H18ClFN2O3/c24-16-8-6-15(7-9-16)14-30-20-5-1-3-18(22(20)29-12-10-25)21(28)19-13-27-23-17(19)4-2-11-26-23/h1-9,11,13H,10,12,14H2,(H,26,27)
InChIKeyBLVHIFCPDUOOFU-UHFFFAOYSA-N
MW424.86 g/mol
LogP5.37
Rot. Bonds8

About [3-[(4-chlorophenyl)methoxy]-2-(2-fluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

[3-[(4-chlorophenyl)methoxy]-2-(2-fluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 24951651) has the molecular formula C23H18ClFN2O3 and a molecular weight of 424.86 g/mol. Its IUPAC name is [3-[(4-chlorophenyl)methoxy]-2-(2-fluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[3-[(4-chlorophenyl)methoxy]-2-(2-fluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
PubChem CID24951651
Molecular FormulaC23H18ClFN2O3
Molecular Weight424.86 g/mol
Exact Mass424.10
IUPAC Name[3-[(4-chlorophenyl)methoxy]-2-(2-fluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESO=C(c1cccc(OCc2ccc(Cl)cc2)c1OCCF)c1c[nH]c2ncccc12
InChIInChI=1S/C23H18ClFN2O3/c24-16-8-6-15(7-9-16)14-30-20-5-1-3-18(22(20)29-12-10-25)21(28)19-13-27-23-17(19)4-2-11-26-23/h1-9,11,13H,10,12,14H2,(H,26,27)
InChIKeyBLVHIFCPDUOOFU-UHFFFAOYSA-N
XLogP5.37
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.86
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-chlorophenyl)methoxy]-2-(2-fluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The IUPAC name of [3-[(4-chlorophenyl)methoxy]-2-(2-fluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (CID 24951651) is [3-[(4-chlorophenyl)methoxy]-2-(2-fluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.
What is the SMILES notation for [3-[(4-chlorophenyl)methoxy]-2-(2-fluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The canonical SMILES for [3-[(4-chlorophenyl)methoxy]-2-(2-fluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is O=C(c1cccc(OCc2ccc(Cl)cc2)c1OCCF)c1c[nH]c2ncccc12.
What is the InChIKey of [3-[(4-chlorophenyl)methoxy]-2-(2-fluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The InChIKey is BLVHIFCPDUOOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN2O3/c24-16-8-6-15(7-9-16)14-30-20-5-1-3-18(22(20)29-12-10-25)21(28)19-13-27-23-17(19)4-2-11-26-23/h1-9,11,13H,10,12,14H2,(H,26,27).
What are the key properties of [3-[(4-chlorophenyl)methoxy]-2-(2-fluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
[3-[(4-chlorophenyl)methoxy]-2-(2-fluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 424.86 g/mol, XLogP of 5.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chlorophenyl)methoxy]-2-(2-fluoroethoxy)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 24951651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).