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

C26H25ClN6O3 — CID 134435397

IUPAC4-[6-[4-[(3-chloro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2cc(OCCO)cc(-c3ccc(N4CCC(O)(Cc5ncccc5Cl)CC4)nc3)c12
InChIInChI=1S/C26H25ClN6O3/c27-22-2-1-7-29-23(22)13-26(35)5-8-32(9-6-26)24-4-3-18(15-30-24)21-12-20(36-11-10-34)17-33-25(21)19(14-28)16-31-33/h1-4,7,12,15-17,34-35H,5-6,8-11,13H2
InChIKeyVHZNXIKCSMKJLV-UHFFFAOYSA-N
MW504.98 g/mol
LogP3.26
Rot. Bonds7

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

4-[6-[4-[(3-chloro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134435397) has the molecular formula C26H25ClN6O3 and a molecular weight of 504.98 g/mol. Its IUPAC name is 4-[6-[4-[(3-chloro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[4-[(3-chloro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134435397
Molecular FormulaC26H25ClN6O3
Molecular Weight504.98 g/mol
Exact Mass504.17
IUPAC Name4-[6-[4-[(3-chloro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2cc(OCCO)cc(-c3ccc(N4CCC(O)(Cc5ncccc5Cl)CC4)nc3)c12
InChIInChI=1S/C26H25ClN6O3/c27-22-2-1-7-29-23(22)13-26(35)5-8-32(9-6-26)24-4-3-18(15-30-24)21-12-20(36-11-10-34)17-33-25(21)19(14-28)16-31-33/h1-4,7,12,15-17,34-35H,5-6,8-11,13H2
InChIKeyVHZNXIKCSMKJLV-UHFFFAOYSA-N
XLogP3.26
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.98
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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
3-chloro-N-[1-[5-[3-cyano-6-[2-(dimethylamino)ethoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide
CID 134435978
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-[6-[4-hydroxy-4-[(4-methylphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435682
6-(2-methoxyethoxy)-4-[6-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436681
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-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]benzenesulfonamide
CID 134435425
6-(2-hydroxyethoxy)-4-[6-[(3S)-3-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134434497
4-[6-[4-[2-(3-cyano-2-pyridinyl)-2-oxoethyl]-4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 147012489
4-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-6-[2-(trifluoromethoxy)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436794
3-chloro-N-[1-[5-[3-cyano-6-(4-hydroxy-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]pyridine-2-carboxamide
CID 167072242
6-(2-hydroxy-2-methylpropoxy)-4-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436242

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[(3-chloro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 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) is 4-[6-[4-[(3-chloro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[4-[(3-chloro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-[(3-chloro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is N#Cc1cnn2cc(OCCO)cc(-c3ccc(N4CCC(O)(Cc5ncccc5Cl)CC4)nc3)c12.
What is the InChIKey of 4-[6-[4-[(3-chloro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is VHZNXIKCSMKJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN6O3/c27-22-2-1-7-29-23(22)13-26(35)5-8-32(9-6-26)24-4-3-18(15-30-24)21-12-20(36-11-10-34)17-33-25(21)19(14-28)16-31-33/h1-4,7,12,15-17,34-35H,5-6,8-11,13H2.
What are the key properties of 4-[6-[4-[(3-chloro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[4-[(3-chloro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 504.98 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[(3-chloro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134435397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).