6-(2-hydroxyethoxy)-4-[6-[(3S)-3-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C21H23N5O2 — CID 134434497

IUPAC6-(2-hydroxyethoxy)-4-[6-[(3S)-3-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC[C@H]1CCCN(c2ccc(-c3cc(OCCO)cn4ncc(C#N)c34)cn2)C1
InChIInChI=1S/C21H23N5O2/c1-15-3-2-6-25(13-15)20-5-4-16(11-23-20)19-9-18(28-8-7-27)14-26-21(19)17(10-22)12-24-26/h4-5,9,11-12,14-15,27H,2-3,6-8,13H2,1H3/t15-/m0/s1
InChIKeyNKOVQBVHVQEFJY-HNNXBMFYSA-N
MW377.45 g/mol
LogP2.88
Rot. Bonds5

About 6-(2-hydroxyethoxy)-4-[6-[(3S)-3-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(2-hydroxyethoxy)-4-[6-[(3S)-3-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134434497) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 6-(2-hydroxyethoxy)-4-[6-[(3S)-3-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2-hydroxyethoxy)-4-[6-[(3S)-3-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134434497
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name6-(2-hydroxyethoxy)-4-[6-[(3S)-3-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC[C@H]1CCCN(c2ccc(-c3cc(OCCO)cn4ncc(C#N)c34)cn2)C1
InChIInChI=1S/C21H23N5O2/c1-15-3-2-6-25(13-15)20-5-4-16(11-23-20)19-9-18(28-8-7-27)14-26-21(19)17(10-22)12-24-26/h4-5,9,11-12,14-15,27H,2-3,6-8,13H2,1H3/t15-/m0/s1
InChIKeyNKOVQBVHVQEFJY-HNNXBMFYSA-N
XLogP2.88
TPSA86.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435413
4-[6-(4-amino-4-methylpiperidin-1-yl)-3-pyridinyl]-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435583
4-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134434609
6-ethoxy-4-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435389
6-(2-hydroxy-2-methylpropoxy)-4-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436242
6-ethoxy-4-[6-[(3S,4S)-4-methyl-3-(methylamino)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435641
6-(2-hydroxyethoxy)-4-[6-[4-methyl-4-(3-methyl-2-oxobutyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 157315572
4-[5-[3-cyano-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 134437030
[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]carbamic acid
CID 134496884
6-ethoxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435378
[(3R,4R)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]carbamic acid
CID 134496805
[(3S,4S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]carbamic acid
CID 134496998

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethoxy)-4-[6-[(3S)-3-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-(2-hydroxyethoxy)-4-[6-[(3S)-3-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134434497) is 6-(2-hydroxyethoxy)-4-[6-[(3S)-3-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-(2-hydroxyethoxy)-4-[6-[(3S)-3-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-(2-hydroxyethoxy)-4-[6-[(3S)-3-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is C[C@H]1CCCN(c2ccc(-c3cc(OCCO)cn4ncc(C#N)c34)cn2)C1.
What is the InChIKey of 6-(2-hydroxyethoxy)-4-[6-[(3S)-3-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is NKOVQBVHVQEFJY-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-15-3-2-6-25(13-15)20-5-4-16(11-23-20)19-9-18(28-8-7-27)14-26-21(19)17(10-22)12-24-26/h4-5,9,11-12,14-15,27H,2-3,6-8,13H2,1H3/t15-/m0/s1.
What are the key properties of 6-(2-hydroxyethoxy)-4-[6-[(3S)-3-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-(2-hydroxyethoxy)-4-[6-[(3S)-3-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 377.45 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethoxy)-4-[6-[(3S)-3-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134434497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).