6-(2-hydroxyethoxy)-4-[6-[4-methyl-4-(3-methyl-2-oxobutyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C26H31N5O3 — CID 157315572

IUPAC6-(2-hydroxyethoxy)-4-[6-[4-methyl-4-(3-methyl-2-oxobutyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(C)C(=O)CC1(C)CCN(c2ccc(-c3cc(OCCO)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C26H31N5O3/c1-18(2)23(33)13-26(3)6-8-30(9-7-26)24-5-4-19(15-28-24)22-12-21(34-11-10-32)17-31-25(22)20(14-27)16-29-31/h4-5,12,15-18,32H,6-11,13H2,1-3H3
InChIKeyBDNYONIUFXOCFM-UHFFFAOYSA-N
MW461.57 g/mol
LogP3.86
Rot. Bonds8

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

6-(2-hydroxyethoxy)-4-[6-[4-methyl-4-(3-methyl-2-oxobutyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 157315572) has the molecular formula C26H31N5O3 and a molecular weight of 461.57 g/mol. Its IUPAC name is 6-(2-hydroxyethoxy)-4-[6-[4-methyl-4-(3-methyl-2-oxobutyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2-hydroxyethoxy)-4-[6-[4-methyl-4-(3-methyl-2-oxobutyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID157315572
Molecular FormulaC26H31N5O3
Molecular Weight461.57 g/mol
Exact Mass461.24
IUPAC Name6-(2-hydroxyethoxy)-4-[6-[4-methyl-4-(3-methyl-2-oxobutyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(C)C(=O)CC1(C)CCN(c2ccc(-c3cc(OCCO)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C26H31N5O3/c1-18(2)23(33)13-26(3)6-8-30(9-7-26)24-5-4-19(15-28-24)22-12-21(34-11-10-32)17-31-25(22)20(14-27)16-29-31/h4-5,12,15-18,32H,6-11,13H2,1-3H3
InChIKeyBDNYONIUFXOCFM-UHFFFAOYSA-N
XLogP3.86
TPSA103.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(2-hydroxyethoxy)-4-[6-[4-methyl-4-(3-methyl-2-oxobutyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Related Compounds

4-[6-(4-amino-4-methylpiperidin-1-yl)-3-pyridinyl]-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435583
4-[5-[3-cyano-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 134437030
N-[1-[5-(3-cyano-6-propoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide
CID 165374205
4-[6-[4-[(3S)-3,4-dimethylpentanoyl]-4-methylpiperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 153041225
ethyl N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate
CID 134436093
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
N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]-1-propan-2-ylpyrazole-4-carboxamide
CID 134497183
1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide;sulfane
CID 162083005
4-[6-[4-[(3-chloro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435397
propan-2-yl 2-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-[(4-ethylpiperazin-1-yl)methyl]piperidin-4-yl]acetate
CID 148856587
4-[6-[4-(3,4-dimethyl-2-oxopentyl)-4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146983167
6-(2-hydroxyethoxy)-4-[6-[(3S)-3-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134434497

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethoxy)-4-[6-[4-methyl-4-(3-methyl-2-oxobutyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 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) is 6-(2-hydroxyethoxy)-4-[6-[4-methyl-4-(3-methyl-2-oxobutyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-(2-hydroxyethoxy)-4-[6-[4-methyl-4-(3-methyl-2-oxobutyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-(2-hydroxyethoxy)-4-[6-[4-methyl-4-(3-methyl-2-oxobutyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CC(C)C(=O)CC1(C)CCN(c2ccc(-c3cc(OCCO)cn4ncc(C#N)c34)cn2)CC1.
What is the InChIKey of 6-(2-hydroxyethoxy)-4-[6-[4-methyl-4-(3-methyl-2-oxobutyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is BDNYONIUFXOCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3/c1-18(2)23(33)13-26(3)6-8-30(9-7-26)24-5-4-19(15-28-24)22-12-21(34-11-10-32)17-31-25(22)20(14-27)16-29-31/h4-5,12,15-18,32H,6-11,13H2,1-3H3.
What are the key properties of 6-(2-hydroxyethoxy)-4-[6-[4-methyl-4-(3-methyl-2-oxobutyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-(2-hydroxyethoxy)-4-[6-[4-methyl-4-(3-methyl-2-oxobutyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 461.57 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethoxy)-4-[6-[4-methyl-4-(3-methyl-2-oxobutyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 157315572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).