N-[2-[(2R)-2-ethylmorpholin-4-yl]ethyl]-6-methyl-5-[[1-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide

C25H33N11O2 — CID 167444268

About N-[2-[(2R)-2-ethylmorpholin-4-yl]ethyl]-6-methyl-5-[[1-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide

N-[2-[(2R)-2-ethylmorpholin-4-yl]ethyl]-6-methyl-5-[[1-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide (PubChem CID 167444268) has the molecular formula C25H33N11O2 and a molecular weight of 519.61 g/mol. Its IUPAC name is N-[2-[(2R)-2-ethylmorpholin-4-yl]ethyl]-6-methyl-5-[[1-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(2R)-2-ethylmorpholin-4-yl]ethyl]-6-methyl-5-[[1-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide
• PubChem CID: 167444268
• Molecular Formula: C25H33N11O2
• Molecular Weight: 519.61 g/mol
• Exact Mass: 519.28
• IUPAC Name: N-[2-[(2R)-2-ethylmorpholin-4-yl]ethyl]-6-methyl-5-[[1-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide
• SMILES: CC[C@@H]1CN(CCNC(=O)c2cnc(C)c(Nc3nn(C)c4nc(Nc5cnn(C)c5)ncc34)c2)CCO1
• InChI: InChI=1S/C25H33N11O2/c1-5-19-15-36(8-9-38-19)7-6-26-24(37)17-10-21(16(2)27-11-17)31-22-20-13-28-25(32-23(20)35(4)33-22)30-18-12-29-34(3)14-18/h10-14,19H,5-9,15H2,1-4H3,(H,26,37)(H,31,33)(H,28,30,32)/t19-/m1/s1
• InChIKey: YLRSFGOOAQBADR-LJQANCHMSA-N
• XLogP: 2.13
• TPSA: 139.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.61
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-2-ethylmorpholin-4-yl]ethyl]-6-methyl-5-[[1-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide?

The IUPAC name of N-[2-[(2R)-2-ethylmorpholin-4-yl]ethyl]-6-methyl-5-[[1-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide (CID 167444268) is N-[2-[(2R)-2-ethylmorpholin-4-yl]ethyl]-6-methyl-5-[[1-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide.

What is the SMILES notation for N-[2-[(2R)-2-ethylmorpholin-4-yl]ethyl]-6-methyl-5-[[1-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide?

The canonical SMILES for N-[2-[(2R)-2-ethylmorpholin-4-yl]ethyl]-6-methyl-5-[[1-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide is CC[C@@H]1CN(CCNC(=O)c2cnc(C)c(Nc3nn(C)c4nc(Nc5cnn(C)c5)ncc34)c2)CCO1.

What is the InChIKey of N-[2-[(2R)-2-ethylmorpholin-4-yl]ethyl]-6-methyl-5-[[1-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide?

The InChIKey is YLRSFGOOAQBADR-LJQANCHMSA-N. The full InChI is InChI=1S/C25H33N11O2/c1-5-19-15-36(8-9-38-19)7-6-26-24(37)17-10-21(16(2)27-11-17)31-22-20-13-28-25(32-23(20)35(4)33-22)30-18-12-29-34(3)14-18/h10-14,19H,5-9,15H2,1-4H3,(H,26,37)(H,31,33)(H,28,30,32)/t19-/m1/s1.

What are the key properties of N-[2-[(2R)-2-ethylmorpholin-4-yl]ethyl]-6-methyl-5-[[1-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide?

N-[2-[(2R)-2-ethylmorpholin-4-yl]ethyl]-6-methyl-5-[[1-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide has a molecular weight of 519.61 g/mol, XLogP of 2.13, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2R)-2-ethylmorpholin-4-yl]ethyl]-6-methyl-5-[[1-methyl-6-[(1-methylpyrazol-4-yl)amino]pyrazolo[3,4-d]pyrimidin-3-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 167444268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).