2-[(3R)-4-[6-[[4-(2,5-dimethylpyrazol-3-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3-methylpiperazin-1-yl]-N,N-dimethylpyrimidine-5-carboxamide

C26H30N10O2S — CID 144984223

About 2-[(3R)-4-[6-[[4-(2,5-dimethylpyrazol-3-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3-methylpiperazin-1-yl]-N,N-dimethylpyrimidine-5-carboxamide

2-[(3R)-4-[6-[[4-(2,5-dimethylpyrazol-3-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3-methylpiperazin-1-yl]-N,N-dimethylpyrimidine-5-carboxamide (PubChem CID 144984223) has the molecular formula C26H30N10O2S and a molecular weight of 546.66 g/mol. Its IUPAC name is 2-[(3R)-4-[6-[[4-(2,5-dimethylpyrazol-3-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3-methylpiperazin-1-yl]-N,N-dimethylpyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 2-[(3R)-4-[6-[[4-(2,5-dimethylpyrazol-3-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3-methylpiperazin-1-yl]-N,N-dimethylpyrimidine-5-carboxamide
• PubChem CID: 144984223
• Molecular Formula: C26H30N10O2S
• Molecular Weight: 546.66 g/mol
• Exact Mass: 546.23
• IUPAC Name: 2-[(3R)-4-[6-[[4-(2,5-dimethylpyrazol-3-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3-methylpiperazin-1-yl]-N,N-dimethylpyrimidine-5-carboxamide
• SMILES: Cc1cc(-c2csc(Nc3ccc(C(=O)N4CCN(c5ncc(C(=O)N(C)C)cn5)C[C@H]4C)cn3)n2)n(C)n1
• InChI: InChI=1S/C26H30N10O2S/c1-16-10-21(34(5)32-16)20-15-39-26(30-20)31-22-7-6-18(11-27-22)24(38)36-9-8-35(14-17(36)2)25-28-12-19(13-29-25)23(37)33(3)4/h6-7,10-13,15,17H,8-9,14H2,1-5H3,(H,27,30,31)/t17-/m1/s1
• InChIKey: PGGIBQHOXOVUBY-QGZVFWFLSA-N
• XLogP: 2.83
• TPSA: 125.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.66
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-[6-[[4-(2,5-dimethylpyrazol-3-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3-methylpiperazin-1-yl]-N,N-dimethylpyrimidine-5-carboxamide?

The IUPAC name of 2-[(3R)-4-[6-[[4-(2,5-dimethylpyrazol-3-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3-methylpiperazin-1-yl]-N,N-dimethylpyrimidine-5-carboxamide (CID 144984223) is 2-[(3R)-4-[6-[[4-(2,5-dimethylpyrazol-3-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3-methylpiperazin-1-yl]-N,N-dimethylpyrimidine-5-carboxamide.

What is the SMILES notation for 2-[(3R)-4-[6-[[4-(2,5-dimethylpyrazol-3-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3-methylpiperazin-1-yl]-N,N-dimethylpyrimidine-5-carboxamide?

The canonical SMILES for 2-[(3R)-4-[6-[[4-(2,5-dimethylpyrazol-3-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3-methylpiperazin-1-yl]-N,N-dimethylpyrimidine-5-carboxamide is Cc1cc(-c2csc(Nc3ccc(C(=O)N4CCN(c5ncc(C(=O)N(C)C)cn5)C[C@H]4C)cn3)n2)n(C)n1.

What is the InChIKey of 2-[(3R)-4-[6-[[4-(2,5-dimethylpyrazol-3-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3-methylpiperazin-1-yl]-N,N-dimethylpyrimidine-5-carboxamide?

The InChIKey is PGGIBQHOXOVUBY-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H30N10O2S/c1-16-10-21(34(5)32-16)20-15-39-26(30-20)31-22-7-6-18(11-27-22)24(38)36-9-8-35(14-17(36)2)25-28-12-19(13-29-25)23(37)33(3)4/h6-7,10-13,15,17H,8-9,14H2,1-5H3,(H,27,30,31)/t17-/m1/s1.

What are the key properties of 2-[(3R)-4-[6-[[4-(2,5-dimethylpyrazol-3-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3-methylpiperazin-1-yl]-N,N-dimethylpyrimidine-5-carboxamide?

2-[(3R)-4-[6-[[4-(2,5-dimethylpyrazol-3-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3-methylpiperazin-1-yl]-N,N-dimethylpyrimidine-5-carboxamide has a molecular weight of 546.66 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R)-4-[6-[[4-(2,5-dimethylpyrazol-3-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3-methylpiperazin-1-yl]-N,N-dimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 144984223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).