[1-benzyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone

C28H28FN3O3 — CID 46934728

IUPAC[1-benzyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone
SMILESCc1c(C)n(Cc2ccccc2)c2c(OCc3ccc(F)cc3)nc(C(=O)N3CCOCC3)cc12
InChIInChI=1S/C28H28FN3O3/c1-19-20(2)32(17-21-6-4-3-5-7-21)26-24(19)16-25(28(33)31-12-14-34-15-13-31)30-27(26)35-18-22-8-10-23(29)11-9-22/h3-11,16H,12-15,17-18H2,1-2H3
InChIKeyRFTPXPJJNRKRBE-UHFFFAOYSA-N
MW473.55 g/mol
LogP4.89
Rot. Bonds6

About [1-benzyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone

[1-benzyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone (PubChem CID 46934728) has the molecular formula C28H28FN3O3 and a molecular weight of 473.55 g/mol. Its IUPAC name is [1-benzyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-benzyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone
PubChem CID46934728
Molecular FormulaC28H28FN3O3
Molecular Weight473.55 g/mol
Exact Mass473.21
IUPAC Name[1-benzyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone
SMILESCc1c(C)n(Cc2ccccc2)c2c(OCc3ccc(F)cc3)nc(C(=O)N3CCOCC3)cc12
InChIInChI=1S/C28H28FN3O3/c1-19-20(2)32(17-21-6-4-3-5-7-21)26-24(19)16-25(28(33)31-12-14-34-15-13-31)30-27(26)35-18-22-8-10-23(29)11-9-22/h3-11,16H,12-15,17-18H2,1-2H3
InChIKeyRFTPXPJJNRKRBE-UHFFFAOYSA-N
XLogP4.89
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-benzyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-benzyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone (CID 46934728) is [1-benzyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-benzyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-benzyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone is Cc1c(C)n(Cc2ccccc2)c2c(OCc3ccc(F)cc3)nc(C(=O)N3CCOCC3)cc12.
What is the InChIKey of [1-benzyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone?
The InChIKey is RFTPXPJJNRKRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN3O3/c1-19-20(2)32(17-21-6-4-3-5-7-21)26-24(19)16-25(28(33)31-12-14-34-15-13-31)30-27(26)35-18-22-8-10-23(29)11-9-22/h3-11,16H,12-15,17-18H2,1-2H3.
What are the key properties of [1-benzyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone?
[1-benzyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone has a molecular weight of 473.55 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 46934728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).