6-[(3S,4S)-4-hydroxyoxolan-3-yl]oxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-2-carbonitrile;hydrochloride

C21H23ClN6O3 — CID 162452932

IUPAC6-[(3S,4S)-4-hydroxyoxolan-3-yl]oxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-2-carbonitrile;hydrochloride
SMILESCl.N#Cc1cc2c(-c3ccc(N4CCNCC4)nc3)cc(O[C@H]3COC[C@@H]3O)cn2n1
InChIInChI=1S/C21H22N6O3.ClH/c22-9-15-7-18-17(14-1-2-21(24-10-14)26-5-3-23-4-6-26)8-16(11-27(18)25-15)30-20-13-29-12-19(20)28;/h1-2,7-8,10-11,19-20,23,28H,3-6,12-13H2;1H/t19-,20-;/m0./s1
InChIKeyQOLLHECPXAFFHI-FKLPMGAJSA-N
MW442.91 g/mol
LogP1.24
Rot. Bonds4

About 6-[(3S,4S)-4-hydroxyoxolan-3-yl]oxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-2-carbonitrile;hydrochloride

6-[(3S,4S)-4-hydroxyoxolan-3-yl]oxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-2-carbonitrile;hydrochloride (PubChem CID 162452932) has the molecular formula C21H23ClN6O3 and a molecular weight of 442.91 g/mol. Its IUPAC name is 6-[(3S,4S)-4-hydroxyoxolan-3-yl]oxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-2-carbonitrile;hydrochloride.

Molecular Properties

Compound Name6-[(3S,4S)-4-hydroxyoxolan-3-yl]oxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-2-carbonitrile;hydrochloride
PubChem CID162452932
Molecular FormulaC21H23ClN6O3
Molecular Weight442.91 g/mol
Exact Mass442.15
IUPAC Name6-[(3S,4S)-4-hydroxyoxolan-3-yl]oxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-2-carbonitrile;hydrochloride
SMILESCl.N#Cc1cc2c(-c3ccc(N4CCNCC4)nc3)cc(O[C@H]3COC[C@@H]3O)cn2n1
InChIInChI=1S/C21H22N6O3.ClH/c22-9-15-7-18-17(14-1-2-21(24-10-14)26-5-3-23-4-6-26)8-16(11-27(18)25-15)30-20-13-29-12-19(20)28;/h1-2,7-8,10-11,19-20,23,28H,3-6,12-13H2;1H/t19-,20-;/m0./s1
InChIKeyQOLLHECPXAFFHI-FKLPMGAJSA-N
XLogP1.24
TPSA107.94 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.91
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

6-[(4S)-4-hydroxyoxolan-3-yl]oxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134506720
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
6-ethoxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435378
(2S)-3-[4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]oxypropane-1,2-diol
CID 172840092
4-(6-piperazin-1-yl-3-pyridinyl)-6-(pyridin-3-ylmethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436930
6-[1-(difluoromethyl)pyrazol-4-yl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride
CID 135150199
6-piperazin-1-ylpyrimidine-4-carbonitrile
CID 126980969
1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazine;hydrochloride
CID 23133624
chloro hypochlorite;6-(1-methylpyrazol-4-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155267110
1-[5-(4-fluorophenyl)-2-pyridinyl]piperazine;hydrochloride
CID 23133533
(3S,4S)-4-(2-piperazin-1-ylquinazolin-4-yl)oxyoxolan-3-ol;hydrochloride
CID 67581998
6-ethoxy-4-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435389

Frequently Asked Questions

What is the IUPAC name of 6-[(3S,4S)-4-hydroxyoxolan-3-yl]oxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-2-carbonitrile;hydrochloride?
The IUPAC name of 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) is 6-[(3S,4S)-4-hydroxyoxolan-3-yl]oxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-2-carbonitrile;hydrochloride.
What is the SMILES notation for 6-[(3S,4S)-4-hydroxyoxolan-3-yl]oxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-2-carbonitrile;hydrochloride?
The canonical SMILES for 6-[(3S,4S)-4-hydroxyoxolan-3-yl]oxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-2-carbonitrile;hydrochloride is Cl.N#Cc1cc2c(-c3ccc(N4CCNCC4)nc3)cc(O[C@H]3COC[C@@H]3O)cn2n1.
What is the InChIKey of 6-[(3S,4S)-4-hydroxyoxolan-3-yl]oxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-2-carbonitrile;hydrochloride?
The InChIKey is QOLLHECPXAFFHI-FKLPMGAJSA-N. The full InChI is InChI=1S/C21H22N6O3.ClH/c22-9-15-7-18-17(14-1-2-21(24-10-14)26-5-3-23-4-6-26)8-16(11-27(18)25-15)30-20-13-29-12-19(20)28;/h1-2,7-8,10-11,19-20,23,28H,3-6,12-13H2;1H/t19-,20-;/m0./s1.
What are the key properties of 6-[(3S,4S)-4-hydroxyoxolan-3-yl]oxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-2-carbonitrile;hydrochloride?
6-[(3S,4S)-4-hydroxyoxolan-3-yl]oxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-2-carbonitrile;hydrochloride has a molecular weight of 442.91 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S,4S)-4-hydroxyoxolan-3-yl]oxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-2-carbonitrile;hydrochloride is sourced from PubChem (CID 162452932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).