6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-(6-spiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclopropane]-3-yl-2-pyridinyl)-3H-isoindol-1-one

C27H25N7O — CID 146366338

IUPAC6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-(6-spiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclopropane]-3-yl-2-pyridinyl)-3H-isoindol-1-one
SMILESCc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)N(c1cccc(-c3nnc4n3C3(CC4)CC3)n1)C2
InChIInChI=1S/C27H25N7O/c1-16-11-18-13-33(26(35)19(18)12-22(16)32-14-21(28-15-32)17-5-6-17)23-4-2-3-20(29-23)25-31-30-24-7-8-27(9-10-27)34(24)25/h2-4,11-12,14-15,17H,5-10,13H2,1H3
InChIKeySGOXAEOBENHBPG-UHFFFAOYSA-N
MW463.55 g/mol
LogP4.31
Rot. Bonds4

About 6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-(6-spiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclopropane]-3-yl-2-pyridinyl)-3H-isoindol-1-one

6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-(6-spiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclopropane]-3-yl-2-pyridinyl)-3H-isoindol-1-one (PubChem CID 146366338) has the molecular formula C27H25N7O and a molecular weight of 463.55 g/mol. Its IUPAC name is 6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-(6-spiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclopropane]-3-yl-2-pyridinyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-(6-spiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclopropane]-3-yl-2-pyridinyl)-3H-isoindol-1-one
PubChem CID146366338
Molecular FormulaC27H25N7O
Molecular Weight463.55 g/mol
Exact Mass463.21
IUPAC Name6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-(6-spiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclopropane]-3-yl-2-pyridinyl)-3H-isoindol-1-one
SMILESCc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)N(c1cccc(-c3nnc4n3C3(CC4)CC3)n1)C2
InChIInChI=1S/C27H25N7O/c1-16-11-18-13-33(26(35)19(18)12-22(16)32-14-21(28-15-32)17-5-6-17)23-4-2-3-20(29-23)25-31-30-24-7-8-27(9-10-27)34(24)25/h2-4,11-12,14-15,17H,5-10,13H2,1H3
InChIKeySGOXAEOBENHBPG-UHFFFAOYSA-N
XLogP4.31
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.55
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-(6-spiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclopropane]-3-yl-2-pyridinyl)-3H-isoindol-1-one?
The IUPAC name of 6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-(6-spiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclopropane]-3-yl-2-pyridinyl)-3H-isoindol-1-one (CID 146366338) is 6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-(6-spiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclopropane]-3-yl-2-pyridinyl)-3H-isoindol-1-one.
What is the SMILES notation for 6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-(6-spiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclopropane]-3-yl-2-pyridinyl)-3H-isoindol-1-one?
The canonical SMILES for 6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-(6-spiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclopropane]-3-yl-2-pyridinyl)-3H-isoindol-1-one is Cc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)N(c1cccc(-c3nnc4n3C3(CC4)CC3)n1)C2.
What is the InChIKey of 6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-(6-spiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclopropane]-3-yl-2-pyridinyl)-3H-isoindol-1-one?
The InChIKey is SGOXAEOBENHBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O/c1-16-11-18-13-33(26(35)19(18)12-22(16)32-14-21(28-15-32)17-5-6-17)23-4-2-3-20(29-23)25-31-30-24-7-8-27(9-10-27)34(24)25/h2-4,11-12,14-15,17H,5-10,13H2,1H3.
What are the key properties of 6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-(6-spiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclopropane]-3-yl-2-pyridinyl)-3H-isoindol-1-one?
6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-(6-spiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclopropane]-3-yl-2-pyridinyl)-3H-isoindol-1-one has a molecular weight of 463.55 g/mol, XLogP of 4.31, 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-spiro[6,7-dihydropyrrolo[2,1-c][1,2,4]triazole-5,1'-cyclopropane]-3-yl-2-pyridinyl)-3H-isoindol-1-one is sourced from PubChem (CID 146366338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).