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

C25H29N9O3 — CID 166484925

About 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

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 (PubChem CID 166484925) has the molecular formula C25H29N9O3 and a molecular weight of 503.57 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 166484925
• Molecular Formula: C25H29N9O3
• Molecular Weight: 503.57 g/mol
• Exact Mass: 503.24
• IUPAC Name: 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
• SMILES: CNc1nc(Nc2cnc(N3CCOC[C@@H]3C)c(C)c2)c(C(=O)OC)nc1-c1cncc2c1ncn2C
• InChI: InChI=1S/C25H29N9O3/c1-14-8-16(9-28-24(14)34-6-7-37-12-15(34)2)30-23-21(25(35)36-5)31-20(22(26-3)32-23)17-10-27-11-18-19(17)29-13-33(18)4/h8-11,13,15H,6-7,12H2,1-5H3,(H2,26,30,32)/t15-/m0/s1
• InChIKey: DDQRMXFAVXEVHX-HNNXBMFYSA-N
• XLogP: 2.93
• TPSA: 132.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.57
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

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-[(3S)-3-methylmorpholin-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-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]amino]pyrazine-2-carboxylate (CID 166484925) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CNc1nc(Nc2cnc(N3CCOC[C@@H]3C)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-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]amino]pyrazine-2-carboxylate?

The InChIKey is DDQRMXFAVXEVHX-HNNXBMFYSA-N. The full InChI is InChI=1S/C25H29N9O3/c1-14-8-16(9-28-24(14)34-6-7-37-12-15(34)2)30-23-21(25(35)36-5)31-20(22(26-3)32-23)17-10-27-11-18-19(17)29-13-33(18)4/h8-11,13,15H,6-7,12H2,1-5H3,(H2,26,30,32)/t15-/m0/s1.

What are the key properties of 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?

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 has a molecular weight of 503.57 g/mol, XLogP of 2.93, 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-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]amino]pyrazine-2-carboxylate is sourced from PubChem (CID 166484925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).