2-[5-[5-[2-(2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]propan-2-ol

C23H23N5O2 — CID 157455669

IUPAC2-[5-[5-[2-(2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ccc(-c2cnc(CCc3cccc4c3CCO4)n3cnnc23)cn1
InChIInChI=1S/C23H23N5O2/c1-23(2,29)20-8-6-16(12-24-20)18-13-25-21(28-14-26-27-22(18)28)9-7-15-4-3-5-19-17(15)10-11-30-19/h3-6,8,12-14,29H,7,9-11H2,1-2H3
InChIKeyBTICVORXLXBQFM-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.13
Rot. Bonds5

About 2-[5-[5-[2-(2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]propan-2-ol

2-[5-[5-[2-(2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]propan-2-ol (PubChem CID 157455669) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-[5-[5-[2-(2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[5-[2-(2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]propan-2-ol
PubChem CID157455669
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name2-[5-[5-[2-(2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ccc(-c2cnc(CCc3cccc4c3CCO4)n3cnnc23)cn1
InChIInChI=1S/C23H23N5O2/c1-23(2,29)20-8-6-16(12-24-20)18-13-25-21(28-14-26-27-22(18)28)9-7-15-4-3-5-19-17(15)10-11-30-19/h3-6,8,12-14,29H,7,9-11H2,1-2H3
InChIKeyBTICVORXLXBQFM-UHFFFAOYSA-N
XLogP3.13
TPSA85.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5-[5-[2-(2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]propan-2-ol with MolForge

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Related Compounds

Dorsomorphin
CID 11524144
Mak-683
CID 121412508
4-[2-[4-(3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CID 5329447
4-[2-[4-(3-Pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CID 5329453
Methyl substituted pyrazole, 27
CID 23648674
Bkidc-1553
CID 122442455
3-(6-{4-[2-(Piperidin-1-yl)ethoxy]phenyl}pyrazolo[1,5-a]pyrimidin-3-yl)pyridine
CID 5329452
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329458
Methyl substituted pyrazole, 28
CID 23648676
4-(2-(4-(3-(Quinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl)phenoxy)ethyl)morpholine
CID 50997748
N,N-Dimethyl-3-(4-(3-(4-quinolinyl)pyrazolo(1,5-a)pyrimidin-6-yl)phenoxy)-1-propanamine
CID 50997749

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-[2-(2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-[5-[2-(2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]propan-2-ol (CID 157455669) is 2-[5-[5-[2-(2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-[5-[2-(2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-[5-[2-(2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]propan-2-ol is CC(C)(O)c1ccc(-c2cnc(CCc3cccc4c3CCO4)n3cnnc23)cn1.
What is the InChIKey of 2-[5-[5-[2-(2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]propan-2-ol?
The InChIKey is BTICVORXLXBQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-23(2,29)20-8-6-16(12-24-20)18-13-25-21(28-14-26-27-22(18)28)9-7-15-4-3-5-19-17(15)10-11-30-19/h3-6,8,12-14,29H,7,9-11H2,1-2H3.
What are the key properties of 2-[5-[5-[2-(2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]propan-2-ol?
2-[5-[5-[2-(2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]propan-2-ol has a molecular weight of 401.47 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-[2-(2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 157455669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).