[2-(5-fluoro-2-methylphenoxy)-6-methoxy-1-phenylpyrrolo[3,2-c]pyridin-3-yl]-piperazin-1-ylmethanone

C26H25FN4O3 — CID 56665265

IUPAC[2-(5-fluoro-2-methylphenoxy)-6-methoxy-1-phenylpyrrolo[3,2-c]pyridin-3-yl]-piperazin-1-ylmethanone
SMILESCOc1cc2c(cn1)c(C(=O)N1CCNCC1)c(Oc1cc(F)ccc1C)n2-c1ccccc1
InChIInChI=1S/C26H25FN4O3/c1-17-8-9-18(27)14-22(17)34-26-24(25(32)30-12-10-28-11-13-30)20-16-29-23(33-2)15-21(20)31(26)19-6-4-3-5-7-19/h3-9,14-16,28H,10-13H2,1-2H3
InChIKeyUTMWQGYUOMAOTA-UHFFFAOYSA-N
MW460.51 g/mol
LogP4.32
Rot. Bonds5

About [2-(5-fluoro-2-methylphenoxy)-6-methoxy-1-phenylpyrrolo[3,2-c]pyridin-3-yl]-piperazin-1-ylmethanone

[2-(5-fluoro-2-methylphenoxy)-6-methoxy-1-phenylpyrrolo[3,2-c]pyridin-3-yl]-piperazin-1-ylmethanone (PubChem CID 56665265) has the molecular formula C26H25FN4O3 and a molecular weight of 460.51 g/mol. Its IUPAC name is [2-(5-fluoro-2-methylphenoxy)-6-methoxy-1-phenylpyrrolo[3,2-c]pyridin-3-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[2-(5-fluoro-2-methylphenoxy)-6-methoxy-1-phenylpyrrolo[3,2-c]pyridin-3-yl]-piperazin-1-ylmethanone
PubChem CID56665265
Molecular FormulaC26H25FN4O3
Molecular Weight460.51 g/mol
Exact Mass460.19
IUPAC Name[2-(5-fluoro-2-methylphenoxy)-6-methoxy-1-phenylpyrrolo[3,2-c]pyridin-3-yl]-piperazin-1-ylmethanone
SMILESCOc1cc2c(cn1)c(C(=O)N1CCNCC1)c(Oc1cc(F)ccc1C)n2-c1ccccc1
InChIInChI=1S/C26H25FN4O3/c1-17-8-9-18(27)14-22(17)34-26-24(25(32)30-12-10-28-11-13-30)20-16-29-23(33-2)15-21(20)31(26)19-6-4-3-5-7-19/h3-9,14-16,28H,10-13H2,1-2H3
InChIKeyUTMWQGYUOMAOTA-UHFFFAOYSA-N
XLogP4.32
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoro-2-methylphenoxy)-6-methoxy-1-phenylpyrrolo[3,2-c]pyridin-3-yl]-piperazin-1-ylmethanone?
The IUPAC name of [2-(5-fluoro-2-methylphenoxy)-6-methoxy-1-phenylpyrrolo[3,2-c]pyridin-3-yl]-piperazin-1-ylmethanone (CID 56665265) is [2-(5-fluoro-2-methylphenoxy)-6-methoxy-1-phenylpyrrolo[3,2-c]pyridin-3-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [2-(5-fluoro-2-methylphenoxy)-6-methoxy-1-phenylpyrrolo[3,2-c]pyridin-3-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [2-(5-fluoro-2-methylphenoxy)-6-methoxy-1-phenylpyrrolo[3,2-c]pyridin-3-yl]-piperazin-1-ylmethanone is COc1cc2c(cn1)c(C(=O)N1CCNCC1)c(Oc1cc(F)ccc1C)n2-c1ccccc1.
What is the InChIKey of [2-(5-fluoro-2-methylphenoxy)-6-methoxy-1-phenylpyrrolo[3,2-c]pyridin-3-yl]-piperazin-1-ylmethanone?
The InChIKey is UTMWQGYUOMAOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O3/c1-17-8-9-18(27)14-22(17)34-26-24(25(32)30-12-10-28-11-13-30)20-16-29-23(33-2)15-21(20)31(26)19-6-4-3-5-7-19/h3-9,14-16,28H,10-13H2,1-2H3.
What are the key properties of [2-(5-fluoro-2-methylphenoxy)-6-methoxy-1-phenylpyrrolo[3,2-c]pyridin-3-yl]-piperazin-1-ylmethanone?
[2-(5-fluoro-2-methylphenoxy)-6-methoxy-1-phenylpyrrolo[3,2-c]pyridin-3-yl]-piperazin-1-ylmethanone has a molecular weight of 460.51 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoro-2-methylphenoxy)-6-methoxy-1-phenylpyrrolo[3,2-c]pyridin-3-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 56665265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).