[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone

C25H25N5O2 — CID 25062174

IUPAC[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccccc1-c1c[nH]c2ncc(-c3cncc(C(=O)N4CCN(C)CC4)c3)cc12
InChIInChI=1S/C25H25N5O2/c1-29-7-9-30(10-8-29)25(31)19-11-17(13-26-14-19)18-12-21-22(16-28-24(21)27-15-18)20-5-3-4-6-23(20)32-2/h3-6,11-16H,7-10H2,1-2H3,(H,27,28)
InChIKeyVIDQUFLNYZLERS-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.69
Rot. Bonds4

About [5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone

[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 25062174) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is [5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID25062174
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccccc1-c1c[nH]c2ncc(-c3cncc(C(=O)N4CCN(C)CC4)c3)cc12
InChIInChI=1S/C25H25N5O2/c1-29-7-9-30(10-8-29)25(31)19-11-17(13-26-14-19)18-12-21-22(16-28-24(21)27-15-18)20-5-3-4-6-23(20)32-2/h3-6,11-16H,7-10H2,1-2H3,(H,27,28)
InChIKeyVIDQUFLNYZLERS-UHFFFAOYSA-N
XLogP3.69
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (CID 25062174) is [5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone is COc1ccccc1-c1c[nH]c2ncc(-c3cncc(C(=O)N4CCN(C)CC4)c3)cc12.
What is the InChIKey of [5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is VIDQUFLNYZLERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-29-7-9-30(10-8-29)25(31)19-11-17(13-26-14-19)18-12-21-22(16-28-24(21)27-15-18)20-5-3-4-6-23(20)32-2/h3-6,11-16H,7-10H2,1-2H3,(H,27,28).
What are the key properties of [5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 427.51 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 25062174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).