6-[(4S)-4-hydroxyoxolan-3-yl]oxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C21H22N6O3 — CID 134506720

IUPAC6-[(4S)-4-hydroxyoxolan-3-yl]oxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2cc(OC3COC[C@@H]3O)cc(-c3ccc(N4CCNCC4)nc3)c12
InChIInChI=1S/C21H22N6O3/c22-8-15-10-25-27-11-16(30-19-13-29-12-18(19)28)7-17(21(15)27)14-1-2-20(24-9-14)26-5-3-23-4-6-26/h1-2,7,9-11,18-19,23,28H,3-6,12-13H2/t18-,19?/m0/s1
InChIKeyQQWVVQWCYSLLJZ-OYKVQYDMSA-N
MW406.45 g/mol
LogP0.82
Rot. Bonds4

About 6-[(4S)-4-hydroxyoxolan-3-yl]oxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile

6-[(4S)-4-hydroxyoxolan-3-yl]oxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134506720) has the molecular formula C21H22N6O3 and a molecular weight of 406.45 g/mol. Its IUPAC name is 6-[(4S)-4-hydroxyoxolan-3-yl]oxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(4S)-4-hydroxyoxolan-3-yl]oxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134506720
Molecular FormulaC21H22N6O3
Molecular Weight406.45 g/mol
Exact Mass406.18
IUPAC Name6-[(4S)-4-hydroxyoxolan-3-yl]oxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2cc(OC3COC[C@@H]3O)cc(-c3ccc(N4CCNCC4)nc3)c12
InChIInChI=1S/C21H22N6O3/c22-8-15-10-25-27-11-16(30-19-13-29-12-18(19)28)7-17(21(15)27)14-1-2-20(24-9-14)26-5-3-23-4-6-26/h1-2,7,9-11,18-19,23,28H,3-6,12-13H2/t18-,19?/m0/s1
InChIKeyQQWVVQWCYSLLJZ-OYKVQYDMSA-N
XLogP0.82
TPSA107.94 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

6-ethoxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435378
6-[(3S,4S)-4-hydroxyoxolan-3-yl]oxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-2-carbonitrile;hydrochloride
CID 162452932
6-[(4S)-4-hydroxyoxolan-3-yl]oxy-4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146667122
4-(6-piperazin-1-yl-3-pyridinyl)-6-(pyridin-3-ylmethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436930
chloro hypochlorite;6-(1-methylpyrazol-4-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155267110
6-ethoxy-4-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435389
6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155275559
6-[1-(difluoromethyl)pyrazol-4-yl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride
CID 135150199
4-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134434609
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-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 167643625
N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(piperazin-1-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 170771140

Frequently Asked Questions

What is the IUPAC name of 6-[(4S)-4-hydroxyoxolan-3-yl]oxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-[(4S)-4-hydroxyoxolan-3-yl]oxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134506720) is 6-[(4S)-4-hydroxyoxolan-3-yl]oxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(4S)-4-hydroxyoxolan-3-yl]oxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(4S)-4-hydroxyoxolan-3-yl]oxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile is N#Cc1cnn2cc(OC3COC[C@@H]3O)cc(-c3ccc(N4CCNCC4)nc3)c12.
What is the InChIKey of 6-[(4S)-4-hydroxyoxolan-3-yl]oxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is QQWVVQWCYSLLJZ-OYKVQYDMSA-N. The full InChI is InChI=1S/C21H22N6O3/c22-8-15-10-25-27-11-16(30-19-13-29-12-18(19)28)7-17(21(15)27)14-1-2-20(24-9-14)26-5-3-23-4-6-26/h1-2,7,9-11,18-19,23,28H,3-6,12-13H2/t18-,19?/m0/s1.
What are the key properties of 6-[(4S)-4-hydroxyoxolan-3-yl]oxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-[(4S)-4-hydroxyoxolan-3-yl]oxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 406.45 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4S)-4-hydroxyoxolan-3-yl]oxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134506720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).