4-[3-[4-(1-ethylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-methylbut-3-yn-2-ol

C23H22N4O — CID 135250020

IUPAC4-[3-[4-(1-ethylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-methylbut-3-yn-2-ol
SMILESCCn1cc(-c2ccc(-c3cnn4cccc(C#CC(C)(C)O)c34)cc2)cn1
InChIInChI=1S/C23H22N4O/c1-4-26-16-20(14-24-26)17-7-9-18(10-8-17)21-15-25-27-13-5-6-19(22(21)27)11-12-23(2,3)28/h5-10,13-16,28H,4H2,1-3H3
InChIKeyNRXKZMMDYYHMOB-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.01
Rot. Bonds3

About 4-[3-[4-(1-ethylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-methylbut-3-yn-2-ol

4-[3-[4-(1-ethylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-methylbut-3-yn-2-ol (PubChem CID 135250020) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 4-[3-[4-(1-ethylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-methylbut-3-yn-2-ol.

Molecular Properties

Compound Name4-[3-[4-(1-ethylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-methylbut-3-yn-2-ol
PubChem CID135250020
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name4-[3-[4-(1-ethylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-methylbut-3-yn-2-ol
SMILESCCn1cc(-c2ccc(-c3cnn4cccc(C#CC(C)(C)O)c34)cc2)cn1
InChIInChI=1S/C23H22N4O/c1-4-26-16-20(14-24-26)17-7-9-18(10-8-17)21-15-25-27-13-5-6-19(22(21)27)11-12-23(2,3)28/h5-10,13-16,28H,4H2,1-3H3
InChIKeyNRXKZMMDYYHMOB-UHFFFAOYSA-N
XLogP4.01
TPSA55.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(1-ethylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-methylbut-3-yn-2-ol?
The IUPAC name of 4-[3-[4-(1-ethylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-methylbut-3-yn-2-ol (CID 135250020) is 4-[3-[4-(1-ethylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-methylbut-3-yn-2-ol.
What is the SMILES notation for 4-[3-[4-(1-ethylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-methylbut-3-yn-2-ol?
The canonical SMILES for 4-[3-[4-(1-ethylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-methylbut-3-yn-2-ol is CCn1cc(-c2ccc(-c3cnn4cccc(C#CC(C)(C)O)c34)cc2)cn1.
What is the InChIKey of 4-[3-[4-(1-ethylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-methylbut-3-yn-2-ol?
The InChIKey is NRXKZMMDYYHMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-4-26-16-20(14-24-26)17-7-9-18(10-8-17)21-15-25-27-13-5-6-19(22(21)27)11-12-23(2,3)28/h5-10,13-16,28H,4H2,1-3H3.
What are the key properties of 4-[3-[4-(1-ethylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-methylbut-3-yn-2-ol?
4-[3-[4-(1-ethylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-methylbut-3-yn-2-ol has a molecular weight of 370.46 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(1-ethylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2-methylbut-3-yn-2-ol is sourced from PubChem (CID 135250020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).