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

C24H27N9O3 — CID 166484750

IUPACmethyl 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[(5-methyl-6-morpholin-4-yl-3-pyridinyl)amino]pyrazine-2-carboxylate
SMILESCNc1nc(Nc2cnc(N3CCOCC3)c(C)c2)c(C(=O)OC)nc1-c1cncc2c1ncn2C
InChIInChI=1S/C24H27N9O3/c1-14-9-15(10-27-23(14)33-5-7-36-8-6-33)29-22-20(24(34)35-4)30-19(21(25-2)31-22)16-11-26-12-17-18(16)28-13-32(17)3/h9-13H,5-8H2,1-4H3,(H2,25,29,31)
InChIKeyXDAGIXVFKWKEKX-UHFFFAOYSA-N
MW489.54 g/mol
LogP2.54
Rot. Bonds6

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

methyl 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[(5-methyl-6-morpholin-4-yl-3-pyridinyl)amino]pyrazine-2-carboxylate (PubChem CID 166484750) has the molecular formula C24H27N9O3 and a molecular weight of 489.54 g/mol. Its IUPAC name is methyl 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[(5-methyl-6-morpholin-4-yl-3-pyridinyl)amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[(5-methyl-6-morpholin-4-yl-3-pyridinyl)amino]pyrazine-2-carboxylate
PubChem CID166484750
Molecular FormulaC24H27N9O3
Molecular Weight489.54 g/mol
Exact Mass489.22
IUPAC Namemethyl 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[(5-methyl-6-morpholin-4-yl-3-pyridinyl)amino]pyrazine-2-carboxylate
SMILESCNc1nc(Nc2cnc(N3CCOCC3)c(C)c2)c(C(=O)OC)nc1-c1cncc2c1ncn2C
InChIInChI=1S/C24H27N9O3/c1-14-9-15(10-27-23(14)33-5-7-36-8-6-33)29-22-20(24(34)35-4)30-19(21(25-2)31-22)16-11-26-12-17-18(16)28-13-32(17)3/h9-13H,5-8H2,1-4H3,(H2,25,29,31)
InChIKeyXDAGIXVFKWKEKX-UHFFFAOYSA-N
XLogP2.54
TPSA132.21 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.54
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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

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Related Compounds

methyl 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[[5-methyl-6-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]amino]pyrazine-2-carboxylate
CID 166484925
methyl 3-(2-chloro-4-morpholin-4-ylanilino)-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxylate
CID 166484893
methyl 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[(2-methyl-4-pyridinyl)amino]pyrazine-2-carboxylate
CID 166484906
methyl 3-[4-[bis(2-methoxyethyl)amino]anilino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxylate
CID 166484830
3-[4-[2-methoxyethyl(methyl)amino]anilino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxylic acid
CID 175533935
methyl 5-methoxy-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-piperidin-4-yloxyanilino)pyrazine-2-carboxylate
CID 166485071
5-cyclopropyl-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]pyrazine-2-carboxamide
CID 166484921
6-(7-chloro-1-methylbenzimidazol-4-yl)-5-(methylamino)-3-(4-morpholin-4-ylanilino)pyrazine-2-carboxamide
CID 166484712
5-methoxy-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[4-(1-methylsulfonylcyclopropyl)anilino]pyrazine-2-carboxylic acid
CID 171063563
[5-[[3-carbamoyl-6-methoxy-5-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazin-2-yl]amino]-2-(methylamino)phenyl]methanesulfinate
CID 166484858
5-(3-methylimidazo[4,5-c]pyridin-7-yl)-6-methylsulfanyl-N-(4-morpholin-4-ylphenyl)pyrazin-2-amine
CID 172735668
5-cyclopropyl-3-[4-(2-hydroxypropan-2-yl)anilino]-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide
CID 166484994

Frequently Asked Questions

What is the IUPAC name of methyl 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[(5-methyl-6-morpholin-4-yl-3-pyridinyl)amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[(5-methyl-6-morpholin-4-yl-3-pyridinyl)amino]pyrazine-2-carboxylate (CID 166484750) is methyl 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[(5-methyl-6-morpholin-4-yl-3-pyridinyl)amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[(5-methyl-6-morpholin-4-yl-3-pyridinyl)amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[(5-methyl-6-morpholin-4-yl-3-pyridinyl)amino]pyrazine-2-carboxylate is CNc1nc(Nc2cnc(N3CCOCC3)c(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-[(5-methyl-6-morpholin-4-yl-3-pyridinyl)amino]pyrazine-2-carboxylate?
The InChIKey is XDAGIXVFKWKEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N9O3/c1-14-9-15(10-27-23(14)33-5-7-36-8-6-33)29-22-20(24(34)35-4)30-19(21(25-2)31-22)16-11-26-12-17-18(16)28-13-32(17)3/h9-13H,5-8H2,1-4H3,(H2,25,29,31).
What are the key properties of methyl 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[(5-methyl-6-morpholin-4-yl-3-pyridinyl)amino]pyrazine-2-carboxylate?
methyl 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[(5-methyl-6-morpholin-4-yl-3-pyridinyl)amino]pyrazine-2-carboxylate has a molecular weight of 489.54 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 12 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-[(5-methyl-6-morpholin-4-yl-3-pyridinyl)amino]pyrazine-2-carboxylate is sourced from PubChem (CID 166484750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).