6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-3H-isoindol-1-one

C26H25N7O — CID 158862940

About 6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-3H-isoindol-1-one

6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-3H-isoindol-1-one (PubChem CID 158862940) has the molecular formula C26H25N7O and a molecular weight of 451.53 g/mol. Its IUPAC name is 6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-3H-isoindol-1-one.

Molecular Properties

• Compound Name: 6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-3H-isoindol-1-one
• PubChem CID: 158862940
• Molecular Formula: C26H25N7O
• Molecular Weight: 451.53 g/mol
• Exact Mass: 451.21
• IUPAC Name: 6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-3H-isoindol-1-one
• SMILES: Cc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)N(c1cccc(-c3nnc4n3[C@H](C)CC4)n1)C2
• InChI: InChI=1S/C26H25N7O/c1-15-10-18-12-32(26(34)19(18)11-22(15)31-13-21(27-14-31)17-7-8-17)23-5-3-4-20(28-23)25-30-29-24-9-6-16(2)33(24)25/h3-5,10-11,13-14,16-17H,6-9,12H2,1-2H3/t16-/m1/s1
• InChIKey: JAWIKSUNVUOGHT-MRXNPFEDSA-N
• XLogP: 4.38
• TPSA: 81.73 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.53
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-3H-isoindol-1-one?

The IUPAC name of 6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-3H-isoindol-1-one (CID 158862940) is 6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-3H-isoindol-1-one.

What is the SMILES notation for 6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-3H-isoindol-1-one?

The canonical SMILES for 6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-3H-isoindol-1-one is Cc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)N(c1cccc(-c3nnc4n3[C@H](C)CC4)n1)C2.

What is the InChIKey of 6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-3H-isoindol-1-one?

The InChIKey is JAWIKSUNVUOGHT-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H25N7O/c1-15-10-18-12-32(26(34)19(18)11-22(15)31-13-21(27-14-31)17-7-8-17)23-5-3-4-20(28-23)25-30-29-24-9-6-16(2)33(24)25/h3-5,10-11,13-14,16-17H,6-9,12H2,1-2H3/t16-/m1/s1.

What are the key properties of 6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-3H-isoindol-1-one?

6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-3H-isoindol-1-one has a molecular weight of 451.53 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-3H-isoindol-1-one is sourced from PubChem (CID 158862940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).