methyl 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[(2-methyl-4-pyridinyl)amino]pyrazine-2-carboxylate

C20H20N8O2 — CID 166484906

IUPACmethyl 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[(2-methyl-4-pyridinyl)amino]pyrazine-2-carboxylate
SMILESCNc1nc(Nc2ccnc(C)c2)c(C(=O)OC)nc1-c1cncc2c1ncn2C
InChIInChI=1S/C20H20N8O2/c1-11-7-12(5-6-23-11)25-19-17(20(29)30-4)26-16(18(21-2)27-19)13-8-22-9-14-15(13)24-10-28(14)3/h5-10H,1-4H3,(H2,21,23,25,27)
InChIKeyYQYZIUYEFOTMCR-UHFFFAOYSA-N
MW404.43 g/mol
LogP2.70
Rot. Bonds5

About methyl 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[(2-methyl-4-pyridinyl)amino]pyrazine-2-carboxylate

methyl 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[(2-methyl-4-pyridinyl)amino]pyrazine-2-carboxylate (PubChem CID 166484906) has the molecular formula C20H20N8O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is methyl 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[(2-methyl-4-pyridinyl)amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[(2-methyl-4-pyridinyl)amino]pyrazine-2-carboxylate
PubChem CID166484906
Molecular FormulaC20H20N8O2
Molecular Weight404.43 g/mol
Exact Mass404.17
IUPAC Namemethyl 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[(2-methyl-4-pyridinyl)amino]pyrazine-2-carboxylate
SMILESCNc1nc(Nc2ccnc(C)c2)c(C(=O)OC)nc1-c1cncc2c1ncn2C
InChIInChI=1S/C20H20N8O2/c1-11-7-12(5-6-23-11)25-19-17(20(29)30-4)26-16(18(21-2)27-19)13-8-22-9-14-15(13)24-10-28(14)3/h5-10H,1-4H3,(H2,21,23,25,27)
InChIKeyYQYZIUYEFOTMCR-UHFFFAOYSA-N
XLogP2.70
TPSA119.74 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[(2-methyl-4-pyridinyl)amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[(2-methyl-4-pyridinyl)amino]pyrazine-2-carboxylate (CID 166484906) is methyl 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[(2-methyl-4-pyridinyl)amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[(2-methyl-4-pyridinyl)amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[(2-methyl-4-pyridinyl)amino]pyrazine-2-carboxylate is CNc1nc(Nc2ccnc(C)c2)c(C(=O)OC)nc1-c1cncc2c1ncn2C.
What is the InChIKey of methyl 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[(2-methyl-4-pyridinyl)amino]pyrazine-2-carboxylate?
The InChIKey is YQYZIUYEFOTMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O2/c1-11-7-12(5-6-23-11)25-19-17(20(29)30-4)26-16(18(21-2)27-19)13-8-22-9-14-15(13)24-10-28(14)3/h5-10H,1-4H3,(H2,21,23,25,27).
What are the key properties of methyl 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[(2-methyl-4-pyridinyl)amino]pyrazine-2-carboxylate?
methyl 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[(2-methyl-4-pyridinyl)amino]pyrazine-2-carboxylate has a molecular weight of 404.43 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[(2-methyl-4-pyridinyl)amino]pyrazine-2-carboxylate is sourced from PubChem (CID 166484906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).