4-[6-(1,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride

C26H33Cl2N7O2 — CID 134496096

IUPAC4-[6-(1,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride
SMILESCl.Cl.N#Cc1cnn2cc(OCCN3CCOCC3)cc(-c3ccc(N4CCC5(CCN5)CC4)nc3)c12
InChIInChI=1S/C26H31N7O2.2ClH/c27-16-21-18-30-33-19-22(35-14-11-31-9-12-34-13-10-31)15-23(25(21)33)20-1-2-24(28-17-20)32-7-4-26(5-8-32)3-6-29-26;;/h1-2,15,17-19,29H,3-14H2;2*1H
InChIKeyOXLWDIQKRBKTOP-UHFFFAOYSA-N
MW546.50 g/mol
LogP3.15
Rot. Bonds6

About 4-[6-(1,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride

4-[6-(1,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride (PubChem CID 134496096) has the molecular formula C26H33Cl2N7O2 and a molecular weight of 546.50 g/mol. Its IUPAC name is 4-[6-(1,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride.

Molecular Properties

Compound Name4-[6-(1,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride
PubChem CID134496096
Molecular FormulaC26H33Cl2N7O2
Molecular Weight546.50 g/mol
Exact Mass545.21
IUPAC Name4-[6-(1,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride
SMILESCl.Cl.N#Cc1cnn2cc(OCCN3CCOCC3)cc(-c3ccc(N4CCC5(CCN5)CC4)nc3)c12
InChIInChI=1S/C26H31N7O2.2ClH/c27-16-21-18-30-33-19-22(35-14-11-31-9-12-34-13-10-31)15-23(25(21)33)20-1-2-24(28-17-20)32-7-4-26(5-8-32)3-6-29-26;;/h1-2,15,17-19,29H,3-14H2;2*1H
InChIKeyOXLWDIQKRBKTOP-UHFFFAOYSA-N
XLogP3.15
TPSA90.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.50
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[6-(1,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride with MolForge

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Related Compounds

4-[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 167679021
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
1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethoxymethyl)piperidine-4-carboxylic acid
CID 134434541
4-[6-(4-amino-4-methylpiperidin-1-yl)-3-pyridinyl]-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435583
6-(2-morpholin-4-ylethoxy)-4-[6-(3-pyridin-2-yloxyazetidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435148
chloro hypochlorite;4-[6-(1,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155267096
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
[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl] carbamate
CID 175200533
6-ethoxy-4-[6-[4-(morpholin-4-ylmethyl)-4-(4,4,4-trifluoro-2-oxobutyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 147776641
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
6-ethoxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435378
4-[5-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride
CID 134496945

Frequently Asked Questions

What is the IUPAC name of 4-[6-(1,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride?
The IUPAC name of 4-[6-(1,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride (CID 134496096) is 4-[6-(1,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride.
What is the SMILES notation for 4-[6-(1,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride?
The canonical SMILES for 4-[6-(1,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride is Cl.Cl.N#Cc1cnn2cc(OCCN3CCOCC3)cc(-c3ccc(N4CCC5(CCN5)CC4)nc3)c12.
What is the InChIKey of 4-[6-(1,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride?
The InChIKey is OXLWDIQKRBKTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O2.2ClH/c27-16-21-18-30-33-19-22(35-14-11-31-9-12-34-13-10-31)15-23(25(21)33)20-1-2-24(28-17-20)32-7-4-26(5-8-32)3-6-29-26;;/h1-2,15,17-19,29H,3-14H2;2*1H.
What are the key properties of 4-[6-(1,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride?
4-[6-(1,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride has a molecular weight of 546.50 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride is sourced from PubChem (CID 134496096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).