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

C23H29N3O4 — CID 59540707

IUPAC(1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol
SMILESCOc1cc(-c2cnc3[nH]cc(C(O)C4(C)CCCCC4)c3n2)cc(OC)c1OC
InChIInChI=1S/C23H29N3O4/c1-23(8-6-5-7-9-23)21(27)15-12-24-22-19(15)26-16(13-25-22)14-10-17(28-2)20(30-4)18(11-14)29-3/h10-13,21,27H,5-9H2,1-4H3,(H,24,25)
InChIKeyHMOGZETVVRPNSP-UHFFFAOYSA-N
MW411.50 g/mol
LogP4.65
Rot. Bonds6

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

(1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol (PubChem CID 59540707) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is (1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol.

Molecular Properties

Compound Name(1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol
PubChem CID59540707
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name(1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol
SMILESCOc1cc(-c2cnc3[nH]cc(C(O)C4(C)CCCCC4)c3n2)cc(OC)c1OC
InChIInChI=1S/C23H29N3O4/c1-23(8-6-5-7-9-23)21(27)15-12-24-22-19(15)26-16(13-25-22)14-10-17(28-2)20(30-4)18(11-14)29-3/h10-13,21,27H,5-9H2,1-4H3,(H,24,25)
InChIKeyHMOGZETVVRPNSP-UHFFFAOYSA-N
XLogP4.65
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol?
The IUPAC name of (1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol (CID 59540707) is (1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol.
What is the SMILES notation for (1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol?
The canonical SMILES for (1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol is COc1cc(-c2cnc3[nH]cc(C(O)C4(C)CCCCC4)c3n2)cc(OC)c1OC.
What is the InChIKey of (1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol?
The InChIKey is HMOGZETVVRPNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-23(8-6-5-7-9-23)21(27)15-12-24-22-19(15)26-16(13-25-22)14-10-17(28-2)20(30-4)18(11-14)29-3/h10-13,21,27H,5-9H2,1-4H3,(H,24,25).
What are the key properties of (1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol?
(1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol has a molecular weight of 411.50 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclohexyl)-[2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol is sourced from PubChem (CID 59540707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).