(2S)-3-[4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]oxypropane-1,2-diol

C19H23N5O3 — CID 172840092

IUPAC(2S)-3-[4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]oxypropane-1,2-diol
SMILESOC[C@H](O)COc1cc(-c2ccc(N3CCNCC3)nc2)c2ccnn2c1
InChIInChI=1S/C19H23N5O3/c25-12-15(26)13-27-16-9-17(18-3-4-22-24(18)11-16)14-1-2-19(21-10-14)23-7-5-20-6-8-23/h1-4,9-11,15,20,25-26H,5-8,12-13H2/t15-/m0/s1
InChIKeyWRFHBQMAVZSDBF-HNNXBMFYSA-N
MW369.43 g/mol
LogP0.54
Rot. Bonds6

About (2S)-3-[4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]oxypropane-1,2-diol

(2S)-3-[4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]oxypropane-1,2-diol (PubChem CID 172840092) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is (2S)-3-[4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]oxypropane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-[4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]oxypropane-1,2-diol
PubChem CID172840092
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name(2S)-3-[4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]oxypropane-1,2-diol
SMILESOC[C@H](O)COc1cc(-c2ccc(N3CCNCC3)nc2)c2ccnn2c1
InChIInChI=1S/C19H23N5O3/c25-12-15(26)13-27-16-9-17(18-3-4-22-24(18)11-16)14-1-2-19(21-10-14)23-7-5-20-6-8-23/h1-4,9-11,15,20,25-26H,5-8,12-13H2/t15-/m0/s1
InChIKeyWRFHBQMAVZSDBF-HNNXBMFYSA-N
XLogP0.54
TPSA95.15 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2S)-3-[4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]oxypropane-1,2-diol with MolForge

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Related Compounds

6-ethoxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435378
4-(6-piperazin-1-yl-3-pyridinyl)-6-(pyridin-3-ylmethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436930
1-[5-[6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-[(3-methylphenyl)methyl]piperidin-4-ol
CID 175861828
tert-butyl N-[1-[5-(6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate
CID 134434726
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-[(2R)-2-hydroxybutoxy]-4-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134510617
6-[(4S)-4-hydroxyoxolan-3-yl]oxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134506720
1-(5-pyridin-3-yl-2-pyridinyl)piperazine;hydrochloride
CID 23133526
(6-piperazin-1-yl-3-pyridinyl)methanol
CID 23385573
4-[6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-[(2S)-2-hydroxybutoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435488
6-(2-methoxypropoxy)-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134437076
1-[5-(4-fluorophenyl)-2-pyridinyl]piperazine;hydrochloride
CID 23133533

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]oxypropane-1,2-diol?
The IUPAC name of (2S)-3-[4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]oxypropane-1,2-diol (CID 172840092) is (2S)-3-[4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]oxypropane-1,2-diol.
What is the SMILES notation for (2S)-3-[4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]oxypropane-1,2-diol?
The canonical SMILES for (2S)-3-[4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]oxypropane-1,2-diol is OC[C@H](O)COc1cc(-c2ccc(N3CCNCC3)nc2)c2ccnn2c1.
What is the InChIKey of (2S)-3-[4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]oxypropane-1,2-diol?
The InChIKey is WRFHBQMAVZSDBF-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N5O3/c25-12-15(26)13-27-16-9-17(18-3-4-22-24(18)11-16)14-1-2-19(21-10-14)23-7-5-20-6-8-23/h1-4,9-11,15,20,25-26H,5-8,12-13H2/t15-/m0/s1.
What are the key properties of (2S)-3-[4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]oxypropane-1,2-diol?
(2S)-3-[4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]oxypropane-1,2-diol has a molecular weight of 369.43 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]oxypropane-1,2-diol is sourced from PubChem (CID 172840092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).