(1,3-dimethylpiperidin-3-yl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol

C23H30N4O4 — CID 59540522

IUPAC(1,3-dimethylpiperidin-3-yl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol
SMILESCOc1cc(-c2cnc3[nH]cc(C(O)C4(C)CCCN(C)C4)c3n2)cc(OC)c1OC
InChIInChI=1S/C23H30N4O4/c1-23(7-6-8-27(2)13-23)21(28)15-11-24-22-19(15)26-16(12-25-22)14-9-17(29-3)20(31-5)18(10-14)30-4/h9-12,21,28H,6-8,13H2,1-5H3,(H,24,25)
InChIKeyUBKVRSVXDCXYSB-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.42
Rot. Bonds6

About (1,3-dimethylpiperidin-3-yl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol

(1,3-dimethylpiperidin-3-yl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol (PubChem CID 59540522) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is (1,3-dimethylpiperidin-3-yl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol.

Molecular Properties

Compound Name(1,3-dimethylpiperidin-3-yl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol
PubChem CID59540522
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Name(1,3-dimethylpiperidin-3-yl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol
SMILESCOc1cc(-c2cnc3[nH]cc(C(O)C4(C)CCCN(C)C4)c3n2)cc(OC)c1OC
InChIInChI=1S/C23H30N4O4/c1-23(7-6-8-27(2)13-23)21(28)15-11-24-22-19(15)26-16(12-25-22)14-9-17(29-3)20(31-5)18(10-14)30-4/h9-12,21,28H,6-8,13H2,1-5H3,(H,24,25)
InChIKeyUBKVRSVXDCXYSB-UHFFFAOYSA-N
XLogP3.42
TPSA92.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpiperidin-3-yl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol?
The IUPAC name of (1,3-dimethylpiperidin-3-yl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol (CID 59540522) is (1,3-dimethylpiperidin-3-yl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol.
What is the SMILES notation for (1,3-dimethylpiperidin-3-yl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol?
The canonical SMILES for (1,3-dimethylpiperidin-3-yl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol is COc1cc(-c2cnc3[nH]cc(C(O)C4(C)CCCN(C)C4)c3n2)cc(OC)c1OC.
What is the InChIKey of (1,3-dimethylpiperidin-3-yl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol?
The InChIKey is UBKVRSVXDCXYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-23(7-6-8-27(2)13-23)21(28)15-11-24-22-19(15)26-16(12-25-22)14-9-17(29-3)20(31-5)18(10-14)30-4/h9-12,21,28H,6-8,13H2,1-5H3,(H,24,25).
What are the key properties of (1,3-dimethylpiperidin-3-yl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol?
(1,3-dimethylpiperidin-3-yl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol has a molecular weight of 426.52 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpiperidin-3-yl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol is sourced from PubChem (CID 59540522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).