6-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]spiro[5,7-dihydro-3H-furo[3,2-f]isoindole-2,1'-cyclobutane]-7-ol

C23H25N5O2 — CID 138458517

IUPAC6-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]spiro[5,7-dihydro-3H-furo[3,2-f]isoindole-2,1'-cyclobutane]-7-ol
SMILESCC(C)n1cnnc1-c1cccc(N2Cc3cc4c(cc3C2O)OC2(CCC2)C4)n1
InChIInChI=1S/C23H25N5O2/c1-14(2)28-13-24-26-21(28)18-5-3-6-20(25-18)27-12-16-9-15-11-23(7-4-8-23)30-19(15)10-17(16)22(27)29/h3,5-6,9-10,13-14,22,29H,4,7-8,11-12H2,1-2H3
InChIKeyUDCFMHVCCHHPBX-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.79
Rot. Bonds3

About 6-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]spiro[5,7-dihydro-3H-furo[3,2-f]isoindole-2,1'-cyclobutane]-7-ol

6-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]spiro[5,7-dihydro-3H-furo[3,2-f]isoindole-2,1'-cyclobutane]-7-ol (PubChem CID 138458517) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 6-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]spiro[5,7-dihydro-3H-furo[3,2-f]isoindole-2,1'-cyclobutane]-7-ol.

Molecular Properties

Compound Name6-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]spiro[5,7-dihydro-3H-furo[3,2-f]isoindole-2,1'-cyclobutane]-7-ol
PubChem CID138458517
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name6-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]spiro[5,7-dihydro-3H-furo[3,2-f]isoindole-2,1'-cyclobutane]-7-ol
SMILESCC(C)n1cnnc1-c1cccc(N2Cc3cc4c(cc3C2O)OC2(CCC2)C4)n1
InChIInChI=1S/C23H25N5O2/c1-14(2)28-13-24-26-21(28)18-5-3-6-20(25-18)27-12-16-9-15-11-23(7-4-8-23)30-19(15)10-17(16)22(27)29/h3,5-6,9-10,13-14,22,29H,4,7-8,11-12H2,1-2H3
InChIKeyUDCFMHVCCHHPBX-UHFFFAOYSA-N
XLogP3.79
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]spiro[5,7-dihydro-3H-furo[3,2-f]isoindole-2,1'-cyclobutane]-7-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-ol
CID 138465187
6-(4-cyclopropylimidazol-1-yl)-1-deuterio-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]spiro[1H-isoindole-3,1'-cyclopropane]
CID 175825715
3-methylidene-5-(4-propan-2-ylphenyl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindole
CID 153387122
1-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]piperidine-4-carboxylic acid
CID 146559639
5-(3,3-dimethylcyclobutyl)-3-methylidene-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindole
CID 153387099
[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]boronic acid
CID 148580494
5-(4-cyclopropylimidazol-1-yl)-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one
CID 137435676
carbon dioxide;2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyrrolidin-1-yl-3H-isoindol-1-one
CID 162071353
1-(3-cyclopropyl-4-fluorophenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one
CID 155435171
5-methyl-6-nitro-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one
CID 156635522
3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-imidazol-2-one
CID 154636541
6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2H-1,3-benzoxazin-4-one
CID 150701965

Frequently Asked Questions

What is the IUPAC name of 6-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]spiro[5,7-dihydro-3H-furo[3,2-f]isoindole-2,1'-cyclobutane]-7-ol?
The IUPAC name of 6-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]spiro[5,7-dihydro-3H-furo[3,2-f]isoindole-2,1'-cyclobutane]-7-ol (CID 138458517) is 6-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]spiro[5,7-dihydro-3H-furo[3,2-f]isoindole-2,1'-cyclobutane]-7-ol.
What is the SMILES notation for 6-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]spiro[5,7-dihydro-3H-furo[3,2-f]isoindole-2,1'-cyclobutane]-7-ol?
The canonical SMILES for 6-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]spiro[5,7-dihydro-3H-furo[3,2-f]isoindole-2,1'-cyclobutane]-7-ol is CC(C)n1cnnc1-c1cccc(N2Cc3cc4c(cc3C2O)OC2(CCC2)C4)n1.
What is the InChIKey of 6-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]spiro[5,7-dihydro-3H-furo[3,2-f]isoindole-2,1'-cyclobutane]-7-ol?
The InChIKey is UDCFMHVCCHHPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-14(2)28-13-24-26-21(28)18-5-3-6-20(25-18)27-12-16-9-15-11-23(7-4-8-23)30-19(15)10-17(16)22(27)29/h3,5-6,9-10,13-14,22,29H,4,7-8,11-12H2,1-2H3.
What are the key properties of 6-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]spiro[5,7-dihydro-3H-furo[3,2-f]isoindole-2,1'-cyclobutane]-7-ol?
6-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]spiro[5,7-dihydro-3H-furo[3,2-f]isoindole-2,1'-cyclobutane]-7-ol has a molecular weight of 403.49 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]spiro[5,7-dihydro-3H-furo[3,2-f]isoindole-2,1'-cyclobutane]-7-ol is sourced from PubChem (CID 138458517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).