(1-methylpyrrolidin-3-yl) 2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate

C25H25Cl2N7O3 — CID 169323246

About (1-methylpyrrolidin-3-yl) 2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate

(1-methylpyrrolidin-3-yl) 2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate (PubChem CID 169323246) has the molecular formula C25H25Cl2N7O3 and a molecular weight of 542.43 g/mol. Its IUPAC name is (1-methylpyrrolidin-3-yl) 2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate.

Molecular Properties

• Compound Name: (1-methylpyrrolidin-3-yl) 2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate
• PubChem CID: 169323246
• Molecular Formula: C25H25Cl2N7O3
• Molecular Weight: 542.43 g/mol
• Exact Mass: 541.14
• IUPAC Name: (1-methylpyrrolidin-3-yl) 2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate
• SMILES: C[C@@H](Oc1ccc2[nH]nc(-c3nc4c([nH]3)CN(C(=O)OC3CCN(C)C3)C4)c2c1)c1c(Cl)cncc1Cl
• InChI: InChI=1S/C25H25Cl2N7O3/c1-13(22-17(26)8-28-9-18(22)27)36-14-3-4-19-16(7-14)23(32-31-19)24-29-20-11-34(12-21(20)30-24)25(35)37-15-5-6-33(2)10-15/h3-4,7-9,13,15H,5-6,10-12H2,1-2H3,(H,29,30)(H,31,32)/t13-,15?/m1/s1
• InChIKey: PAITZIUDJXGJGJ-AFYYWNPRSA-N
• XLogP: 4.95
• TPSA: 112.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.43
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrolidin-3-yl) 2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate?

The IUPAC name of (1-methylpyrrolidin-3-yl) 2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate (CID 169323246) is (1-methylpyrrolidin-3-yl) 2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate.

What is the SMILES notation for (1-methylpyrrolidin-3-yl) 2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate?

The canonical SMILES for (1-methylpyrrolidin-3-yl) 2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate is C[C@@H](Oc1ccc2[nH]nc(-c3nc4c([nH]3)CN(C(=O)OC3CCN(C)C3)C4)c2c1)c1c(Cl)cncc1Cl.

What is the InChIKey of (1-methylpyrrolidin-3-yl) 2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate?

The InChIKey is PAITZIUDJXGJGJ-AFYYWNPRSA-N. The full InChI is InChI=1S/C25H25Cl2N7O3/c1-13(22-17(26)8-28-9-18(22)27)36-14-3-4-19-16(7-14)23(32-31-19)24-29-20-11-34(12-21(20)30-24)25(35)37-15-5-6-33(2)10-15/h3-4,7-9,13,15H,5-6,10-12H2,1-2H3,(H,29,30)(H,31,32)/t13-,15?/m1/s1.

What are the key properties of (1-methylpyrrolidin-3-yl) 2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate?

(1-methylpyrrolidin-3-yl) 2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate has a molecular weight of 542.43 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1-methylpyrrolidin-3-yl) 2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole-5-carboxylate is sourced from PubChem (CID 169323246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).