2-methyl-4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol

C25H29N3O2 — CID 135241050

IUPAC2-methyl-4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol
SMILESCC(C)(O)C#Cc1cccn2ncc(-c3ccc(OCCN4CCCCC4)cc3)c12
InChIInChI=1S/C25H29N3O2/c1-25(2,29)13-12-21-7-6-16-28-24(21)23(19-26-28)20-8-10-22(11-9-20)30-18-17-27-14-4-3-5-15-27/h6-11,16,19,29H,3-5,14-15,17-18H2,1-2H3
InChIKeyVUDFWBIGGCCOMF-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.99
Rot. Bonds5

About 2-methyl-4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol

2-methyl-4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol (PubChem CID 135241050) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-methyl-4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol.

Molecular Properties

Compound Name2-methyl-4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol
PubChem CID135241050
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name2-methyl-4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol
SMILESCC(C)(O)C#Cc1cccn2ncc(-c3ccc(OCCN4CCCCC4)cc3)c12
InChIInChI=1S/C25H29N3O2/c1-25(2,29)13-12-21-7-6-16-28-24(21)23(19-26-28)20-8-10-22(11-9-20)30-18-17-27-14-4-3-5-15-27/h6-11,16,19,29H,3-5,14-15,17-18H2,1-2H3
InChIKeyVUDFWBIGGCCOMF-UHFFFAOYSA-N
XLogP3.99
TPSA50.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 174231173
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
2-hydroxy-4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]benzonitrile
CID 59495027
4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087
3-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]prop-2-yn-1-ol
CID 83134389
4-[3-[4-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyridin-4-yl]-2,2-dimethylbut-3-ynamide
CID 135260470
azane;2-methyl-5-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 161049684
2,2,2-trifluoro-1-[4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanamine
CID 118664716
4-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 44577770
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
[4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride
CID 78358370

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol?
The IUPAC name of 2-methyl-4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol (CID 135241050) is 2-methyl-4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol.
What is the SMILES notation for 2-methyl-4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol?
The canonical SMILES for 2-methyl-4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol is CC(C)(O)C#Cc1cccn2ncc(-c3ccc(OCCN4CCCCC4)cc3)c12.
What is the InChIKey of 2-methyl-4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol?
The InChIKey is VUDFWBIGGCCOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-25(2,29)13-12-21-7-6-16-28-24(21)23(19-26-28)20-8-10-22(11-9-20)30-18-17-27-14-4-3-5-15-27/h6-11,16,19,29H,3-5,14-15,17-18H2,1-2H3.
What are the key properties of 2-methyl-4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol?
2-methyl-4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol has a molecular weight of 403.53 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyridin-4-yl]but-3-yn-2-ol is sourced from PubChem (CID 135241050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).