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

C25H23N7O — CID 146366209

IUPAC6-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-5-methyl-3H-isoindol-1-one
SMILESCc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)N(c1cccc(-c3nnc4n3CCC4)n1)C2
InChIInChI=1S/C25H23N7O/c1-15-10-17-12-32(22-5-2-4-19(27-22)24-29-28-23-6-3-9-31(23)24)25(33)18(17)11-21(15)30-13-20(26-14-30)16-7-8-16/h2,4-5,10-11,13-14,16H,3,6-9,12H2,1H3
InChIKeyHWHNEHGSAFMHDU-UHFFFAOYSA-N
MW437.51 g/mol
LogP3.82
Rot. Bonds4

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

6-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-5-methyl-3H-isoindol-1-one (PubChem CID 146366209) has the molecular formula C25H23N7O and a molecular weight of 437.51 g/mol. Its IUPAC name is 6-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-5-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name6-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-5-methyl-3H-isoindol-1-one
PubChem CID146366209
Molecular FormulaC25H23N7O
Molecular Weight437.51 g/mol
Exact Mass437.20
IUPAC Name6-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-5-methyl-3H-isoindol-1-one
SMILESCc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)N(c1cccc(-c3nnc4n3CCC4)n1)C2
InChIInChI=1S/C25H23N7O/c1-15-10-17-12-32(22-5-2-4-19(27-22)24-29-28-23-6-3-9-31(23)24)25(33)18(17)11-21(15)30-13-20(26-14-30)16-7-8-16/h2,4-5,10-11,13-14,16H,3,6-9,12H2,1H3
InChIKeyHWHNEHGSAFMHDU-UHFFFAOYSA-N
XLogP3.82
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-5-methyl-3H-isoindol-1-one?
The IUPAC name of 6-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-5-methyl-3H-isoindol-1-one (CID 146366209) is 6-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-5-methyl-3H-isoindol-1-one.
What is the SMILES notation for 6-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-5-methyl-3H-isoindol-1-one?
The canonical SMILES for 6-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-5-methyl-3H-isoindol-1-one is Cc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)N(c1cccc(-c3nnc4n3CCC4)n1)C2.
What is the InChIKey of 6-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-5-methyl-3H-isoindol-1-one?
The InChIKey is HWHNEHGSAFMHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O/c1-15-10-17-12-32(22-5-2-4-19(27-22)24-29-28-23-6-3-9-31(23)24)25(33)18(17)11-21(15)30-13-20(26-14-30)16-7-8-16/h2,4-5,10-11,13-14,16H,3,6-9,12H2,1H3.
What are the key properties of 6-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-5-methyl-3H-isoindol-1-one?
6-(4-cyclopropylimidazol-1-yl)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-5-methyl-3H-isoindol-1-one has a molecular weight of 437.51 g/mol, XLogP of 3.82, 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)-2-[6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-5-methyl-3H-isoindol-1-one is sourced from PubChem (CID 146366209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).