5-fluoro-N-[5-[(2S,5R)-4-(2-methoxyethyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide

C23H32FN7O3 — CID 59508351

About 5-fluoro-N-[5-[(2S,5R)-4-(2-methoxyethyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide

5-fluoro-N-[5-[(2S,5R)-4-(2-methoxyethyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide (PubChem CID 59508351) has the molecular formula C23H32FN7O3 and a molecular weight of 473.55 g/mol. Its IUPAC name is 5-fluoro-N-[5-[(2S,5R)-4-(2-methoxyethyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-fluoro-N-[5-[(2S,5R)-4-(2-methoxyethyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide
• PubChem CID: 59508351
• Molecular Formula: C23H32FN7O3
• Molecular Weight: 473.55 g/mol
• Exact Mass: 473.26
• IUPAC Name: 5-fluoro-N-[5-[(2S,5R)-4-(2-methoxyethyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide
• SMILES: COCCN1C[C@H](C)N(C(=O)N2Cc3c(NC(=O)c4ccc(F)cn4)n[nH]c3C2(C)C)C[C@H]1C
• InChI: InChI=1S/C23H32FN7O3/c1-14-12-30(15(2)11-29(14)8-9-34-5)22(33)31-13-17-19(23(31,3)4)27-28-20(17)26-21(32)18-7-6-16(24)10-25-18/h6-7,10,14-15H,8-9,11-13H2,1-5H3,(H2,26,27,28,32)/t14-,15+/m1/s1
• InChIKey: LMEKTHIGWQUKAU-CABCVRRESA-N
• XLogP: 2.41
• TPSA: 106.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.55
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[5-[(2S,5R)-4-(2-methoxyethyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide?

The IUPAC name of 5-fluoro-N-[5-[(2S,5R)-4-(2-methoxyethyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide (CID 59508351) is 5-fluoro-N-[5-[(2S,5R)-4-(2-methoxyethyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide.

What is the SMILES notation for 5-fluoro-N-[5-[(2S,5R)-4-(2-methoxyethyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide?

The canonical SMILES for 5-fluoro-N-[5-[(2S,5R)-4-(2-methoxyethyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide is COCCN1C[C@H](C)N(C(=O)N2Cc3c(NC(=O)c4ccc(F)cn4)n[nH]c3C2(C)C)C[C@H]1C.

What is the InChIKey of 5-fluoro-N-[5-[(2S,5R)-4-(2-methoxyethyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide?

The InChIKey is LMEKTHIGWQUKAU-CABCVRRESA-N. The full InChI is InChI=1S/C23H32FN7O3/c1-14-12-30(15(2)11-29(14)8-9-34-5)22(33)31-13-17-19(23(31,3)4)27-28-20(17)26-21(32)18-7-6-16(24)10-25-18/h6-7,10,14-15H,8-9,11-13H2,1-5H3,(H2,26,27,28,32)/t14-,15+/m1/s1.

What are the key properties of 5-fluoro-N-[5-[(2S,5R)-4-(2-methoxyethyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide?

5-fluoro-N-[5-[(2S,5R)-4-(2-methoxyethyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide has a molecular weight of 473.55 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-N-[5-[(2S,5R)-4-(2-methoxyethyl)-2,5-dimethylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 59508351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).