4-[4-[4-[(1S)-2-hydroxy-1-pyridin-2-ylethoxy]-3-prop-1-ynylpyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carbonitrile

C26H26N8O2 — CID 177310905

IUPAC4-[4-[4-[(1S)-2-hydroxy-1-pyridin-2-ylethoxy]-3-prop-1-ynylpyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carbonitrile
SMILESCC#Cc1cnn2cc(-c3nnn(C4CCN(C#N)CC4)c3C)cc(O[C@H](CO)c3ccccn3)c12
InChIInChI=1S/C26H26N8O2/c1-3-6-19-14-29-33-15-20(13-23(26(19)33)36-24(16-35)22-7-4-5-10-28-22)25-18(2)34(31-30-25)21-8-11-32(17-27)12-9-21/h4-5,7,10,13-15,21,24,35H,8-9,11-12,16H2,1-2H3/t24-/m1/s1
InChIKeyVQYCLRHBJHORSG-XMMPIXPASA-N
MW482.55 g/mol
LogP2.90
Rot. Bonds6

About 4-[4-[4-[(1S)-2-hydroxy-1-pyridin-2-ylethoxy]-3-prop-1-ynylpyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carbonitrile

4-[4-[4-[(1S)-2-hydroxy-1-pyridin-2-ylethoxy]-3-prop-1-ynylpyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carbonitrile (PubChem CID 177310905) has the molecular formula C26H26N8O2 and a molecular weight of 482.55 g/mol. Its IUPAC name is 4-[4-[4-[(1S)-2-hydroxy-1-pyridin-2-ylethoxy]-3-prop-1-ynylpyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carbonitrile.

Molecular Properties

Compound Name4-[4-[4-[(1S)-2-hydroxy-1-pyridin-2-ylethoxy]-3-prop-1-ynylpyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carbonitrile
PubChem CID177310905
Molecular FormulaC26H26N8O2
Molecular Weight482.55 g/mol
Exact Mass482.22
IUPAC Name4-[4-[4-[(1S)-2-hydroxy-1-pyridin-2-ylethoxy]-3-prop-1-ynylpyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carbonitrile
SMILESCC#Cc1cnn2cc(-c3nnn(C4CCN(C#N)CC4)c3C)cc(O[C@H](CO)c3ccccn3)c12
InChIInChI=1S/C26H26N8O2/c1-3-6-19-14-29-33-15-20(13-23(26(19)33)36-24(16-35)22-7-4-5-10-28-22)25-18(2)34(31-30-25)21-8-11-32(17-27)12-9-21/h4-5,7,10,13-15,21,24,35H,8-9,11-12,16H2,1-2H3/t24-/m1/s1
InChIKeyVQYCLRHBJHORSG-XMMPIXPASA-N
XLogP2.90
TPSA117.39 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.55
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

6-[1-(1-cyanopiperidin-4-yl)-5-methyltriazol-4-yl]-4-[(1R)-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164921413
4-[4-[3-(3-amino-3-methylbut-1-ynyl)-4-[(1S)-1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carbonitrile
CID 177310906
2-[3-methyl-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridin-2-ylethanol
CID 164920560
4-[4-[3-chloro-4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carbonitrile
CID 164920552
(2S)-2-[3-chloro-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridin-2-ylethanol
CID 171074909
tert-butyl 4-[4-[4-[2-[tert-butyl(dimethyl)silyl]oxy-1-pyridin-2-ylethoxy]-3-cyanopyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate
CID 171818765
tert-butyl 4-[4-[3-cyano-4-[(1R)-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate
CID 164921453
6-[1-(1-cyanopiperidin-4-yl)-5-methyltriazol-4-yl]-4-[1-(5-methyl-1,3-thiazol-2-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164920806
tert-butyl 4-[4-[3-cyano-4-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate
CID 164920923
4-[4-[3-chloro-4-[(1S)-1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-cyclopropyltriazol-1-yl]piperidine-1-carbonitrile
CID 177310818
(3S,4R)-4-[4-[3-chloro-4-[1-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]-3-fluoropiperidine-1-carbonitrile
CID 164920882
6-[1-(1-cyanopiperidin-4-yl)-5-methyltriazol-4-yl]-4-[1-[5-(difluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164920951

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[(1S)-2-hydroxy-1-pyridin-2-ylethoxy]-3-prop-1-ynylpyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carbonitrile?
The IUPAC name of 4-[4-[4-[(1S)-2-hydroxy-1-pyridin-2-ylethoxy]-3-prop-1-ynylpyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carbonitrile (CID 177310905) is 4-[4-[4-[(1S)-2-hydroxy-1-pyridin-2-ylethoxy]-3-prop-1-ynylpyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carbonitrile.
What is the SMILES notation for 4-[4-[4-[(1S)-2-hydroxy-1-pyridin-2-ylethoxy]-3-prop-1-ynylpyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carbonitrile?
The canonical SMILES for 4-[4-[4-[(1S)-2-hydroxy-1-pyridin-2-ylethoxy]-3-prop-1-ynylpyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carbonitrile is CC#Cc1cnn2cc(-c3nnn(C4CCN(C#N)CC4)c3C)cc(O[C@H](CO)c3ccccn3)c12.
What is the InChIKey of 4-[4-[4-[(1S)-2-hydroxy-1-pyridin-2-ylethoxy]-3-prop-1-ynylpyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carbonitrile?
The InChIKey is VQYCLRHBJHORSG-XMMPIXPASA-N. The full InChI is InChI=1S/C26H26N8O2/c1-3-6-19-14-29-33-15-20(13-23(26(19)33)36-24(16-35)22-7-4-5-10-28-22)25-18(2)34(31-30-25)21-8-11-32(17-27)12-9-21/h4-5,7,10,13-15,21,24,35H,8-9,11-12,16H2,1-2H3/t24-/m1/s1.
What are the key properties of 4-[4-[4-[(1S)-2-hydroxy-1-pyridin-2-ylethoxy]-3-prop-1-ynylpyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carbonitrile?
4-[4-[4-[(1S)-2-hydroxy-1-pyridin-2-ylethoxy]-3-prop-1-ynylpyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carbonitrile has a molecular weight of 482.55 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[(1S)-2-hydroxy-1-pyridin-2-ylethoxy]-3-prop-1-ynylpyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carbonitrile is sourced from PubChem (CID 177310905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).