4-[6-[4-(2-hydroxy-3-methoxypropyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C25H28N8O2 — CID 126740288

IUPAC4-[6-[4-(2-hydroxy-3-methoxypropyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOCC(O)CN1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C25H28N8O2/c1-30-14-21(13-28-30)19-9-23(25-20(10-26)12-29-33(25)15-19)18-3-4-24(27-11-18)32-7-5-31(6-8-32)16-22(34)17-35-2/h3-4,9,11-15,22,34H,5-8,16-17H2,1-2H3
InChIKeyWFUVWBUCULFMLW-UHFFFAOYSA-N
MW472.55 g/mol
LogP1.80
Rot. Bonds7

About 4-[6-[4-(2-hydroxy-3-methoxypropyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[4-(2-hydroxy-3-methoxypropyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 126740288) has the molecular formula C25H28N8O2 and a molecular weight of 472.55 g/mol. Its IUPAC name is 4-[6-[4-(2-hydroxy-3-methoxypropyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[4-(2-hydroxy-3-methoxypropyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID126740288
Molecular FormulaC25H28N8O2
Molecular Weight472.55 g/mol
Exact Mass472.23
IUPAC Name4-[6-[4-(2-hydroxy-3-methoxypropyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOCC(O)CN1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C25H28N8O2/c1-30-14-21(13-28-30)19-9-23(25-20(10-26)12-29-33(25)15-19)18-3-4-24(27-11-18)32-7-5-31(6-8-32)16-22(34)17-35-2/h3-4,9,11-15,22,34H,5-8,16-17H2,1-2H3
InChIKeyWFUVWBUCULFMLW-UHFFFAOYSA-N
XLogP1.80
TPSA107.74 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

4-[6-[4-(2-methoxy-3-methylbutyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740223
4-[6-[4-(2-methoxyacetyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740252
4-[6-[4-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740168
6-(1-methylpyrazol-4-yl)-4-[6-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740454
4-[6-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740053
6-(1-methylpyrazol-4-yl)-4-[6-(4-prop-1-enylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 175933963
4-[6-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740052
4-[6-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740333
6-(1-methylpyrazol-4-yl)-4-[6-[4-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740147
4-[6-[4-[(6-methoxy-2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740334
4-[6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740207
chloro hypochlorite;6-(1-methylpyrazol-4-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155267110

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(2-hydroxy-3-methoxypropyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[4-(2-hydroxy-3-methoxypropyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 126740288) is 4-[6-[4-(2-hydroxy-3-methoxypropyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[4-(2-hydroxy-3-methoxypropyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-(2-hydroxy-3-methoxypropyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is COCC(O)CN1CCN(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cn2)CC1.
What is the InChIKey of 4-[6-[4-(2-hydroxy-3-methoxypropyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is WFUVWBUCULFMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O2/c1-30-14-21(13-28-30)19-9-23(25-20(10-26)12-29-33(25)15-19)18-3-4-24(27-11-18)32-7-5-31(6-8-32)16-22(34)17-35-2/h3-4,9,11-15,22,34H,5-8,16-17H2,1-2H3.
What are the key properties of 4-[6-[4-(2-hydroxy-3-methoxypropyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[4-(2-hydroxy-3-methoxypropyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 472.55 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(2-hydroxy-3-methoxypropyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 126740288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).