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

C26H22F3N7O — CID 146366227

IUPAC6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-[6-[(5S)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-3H-isoindol-1-one
SMILESCc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)N(c1cccc(-c3nnc4n3[C@H](C(F)(F)F)CC4)n1)C2
InChIInChI=1S/C26H22F3N7O/c1-14-9-16-11-35(25(37)17(16)10-20(14)34-12-19(30-13-34)15-5-6-15)22-4-2-3-18(31-22)24-33-32-23-8-7-21(36(23)24)26(27,28)29/h2-4,9-10,12-13,15,21H,5-8,11H2,1H3/t21-/m0/s1
InChIKeyWWPYPHJNTAXCEL-NRFANRHFSA-N
MW505.50 g/mol
LogP4.92
Rot. Bonds4

About 6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-[6-[(5S)-5-(trifluoromethyl)-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-[(5S)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-3H-isoindol-1-one (PubChem CID 146366227) has the molecular formula C26H22F3N7O and a molecular weight of 505.50 g/mol. Its IUPAC name is 6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-[6-[(5S)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-[6-[(5S)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-3H-isoindol-1-one
PubChem CID146366227
Molecular FormulaC26H22F3N7O
Molecular Weight505.50 g/mol
Exact Mass505.18
IUPAC Name6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-[6-[(5S)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-3H-isoindol-1-one
SMILESCc1cc2c(cc1-n1cnc(C3CC3)c1)C(=O)N(c1cccc(-c3nnc4n3[C@H](C(F)(F)F)CC4)n1)C2
InChIInChI=1S/C26H22F3N7O/c1-14-9-16-11-35(25(37)17(16)10-20(14)34-12-19(30-13-34)15-5-6-15)22-4-2-3-18(31-22)24-33-32-23-8-7-21(36(23)24)26(27,28)29/h2-4,9-10,12-13,15,21H,5-8,11H2,1H3/t21-/m0/s1
InChIKeyWWPYPHJNTAXCEL-NRFANRHFSA-N
XLogP4.92
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.50
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-[6-[(5S)-5-(trifluoromethyl)-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-[(5S)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-3H-isoindol-1-one (CID 146366227) is 6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-[6-[(5S)-5-(trifluoromethyl)-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-[(5S)-5-(trifluoromethyl)-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-[(5S)-5-(trifluoromethyl)-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(F)(F)F)CC4)n1)C2.
What is the InChIKey of 6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-[6-[(5S)-5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-3H-isoindol-1-one?
The InChIKey is WWPYPHJNTAXCEL-NRFANRHFSA-N. The full InChI is InChI=1S/C26H22F3N7O/c1-14-9-16-11-35(25(37)17(16)10-20(14)34-12-19(30-13-34)15-5-6-15)22-4-2-3-18(31-22)24-33-32-23-8-7-21(36(23)24)26(27,28)29/h2-4,9-10,12-13,15,21H,5-8,11H2,1H3/t21-/m0/s1.
What are the key properties of 6-(4-cyclopropylimidazol-1-yl)-5-methyl-2-[6-[(5S)-5-(trifluoromethyl)-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-[(5S)-5-(trifluoromethyl)-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 505.50 g/mol, XLogP of 4.92, 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-[(5S)-5-(trifluoromethyl)-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 146366227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).