methyl 5-methoxy-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-piperidin-4-yloxyanilino)pyrazine-2-carboxylate

C25H27N7O4 — CID 166485071

IUPACmethyl 5-methoxy-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-piperidin-4-yloxyanilino)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cncc3c2ncn3C)c(OC)nc1Nc1ccc(OC2CCNCC2)cc1
InChIInChI=1S/C25H27N7O4/c1-32-14-28-20-18(12-27-13-19(20)32)21-24(34-2)31-23(22(30-21)25(33)35-3)29-15-4-6-16(7-5-15)36-17-8-10-26-11-9-17/h4-7,12-14,17,26H,8-11H2,1-3H3,(H,29,31)
InChIKeyRSGQZCNGXNMAGL-UHFFFAOYSA-N
MW489.54 g/mol
LogP3.09
Rot. Bonds7

About methyl 5-methoxy-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-piperidin-4-yloxyanilino)pyrazine-2-carboxylate

methyl 5-methoxy-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-piperidin-4-yloxyanilino)pyrazine-2-carboxylate (PubChem CID 166485071) has the molecular formula C25H27N7O4 and a molecular weight of 489.54 g/mol. Its IUPAC name is methyl 5-methoxy-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-piperidin-4-yloxyanilino)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methoxy-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-piperidin-4-yloxyanilino)pyrazine-2-carboxylate
PubChem CID166485071
Molecular FormulaC25H27N7O4
Molecular Weight489.54 g/mol
Exact Mass489.21
IUPAC Namemethyl 5-methoxy-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-piperidin-4-yloxyanilino)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cncc3c2ncn3C)c(OC)nc1Nc1ccc(OC2CCNCC2)cc1
InChIInChI=1S/C25H27N7O4/c1-32-14-28-20-18(12-27-13-19(20)32)21-24(34-2)31-23(22(30-21)25(33)35-3)29-15-4-6-16(7-5-15)36-17-8-10-26-11-9-17/h4-7,12-14,17,26H,8-11H2,1-3H3,(H,29,31)
InChIKeyRSGQZCNGXNMAGL-UHFFFAOYSA-N
XLogP3.09
TPSA125.31 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.54
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methoxy-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-piperidin-4-yloxyanilino)pyrazine-2-carboxylate?
The IUPAC name of methyl 5-methoxy-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-piperidin-4-yloxyanilino)pyrazine-2-carboxylate (CID 166485071) is methyl 5-methoxy-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-piperidin-4-yloxyanilino)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-methoxy-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-piperidin-4-yloxyanilino)pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-methoxy-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-piperidin-4-yloxyanilino)pyrazine-2-carboxylate is COC(=O)c1nc(-c2cncc3c2ncn3C)c(OC)nc1Nc1ccc(OC2CCNCC2)cc1.
What is the InChIKey of methyl 5-methoxy-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-piperidin-4-yloxyanilino)pyrazine-2-carboxylate?
The InChIKey is RSGQZCNGXNMAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O4/c1-32-14-28-20-18(12-27-13-19(20)32)21-24(34-2)31-23(22(30-21)25(33)35-3)29-15-4-6-16(7-5-15)36-17-8-10-26-11-9-17/h4-7,12-14,17,26H,8-11H2,1-3H3,(H,29,31).
What are the key properties of methyl 5-methoxy-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-piperidin-4-yloxyanilino)pyrazine-2-carboxylate?
methyl 5-methoxy-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-piperidin-4-yloxyanilino)pyrazine-2-carboxylate has a molecular weight of 489.54 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methoxy-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-piperidin-4-yloxyanilino)pyrazine-2-carboxylate is sourced from PubChem (CID 166485071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).