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

C30H28N8O2 — CID 126740279

IUPAC4-[6-[4-(2-hydroxy-3-phenylpropanoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C(O)Cc5ccccc5)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C30H28N8O2/c1-35-19-25(18-33-35)23-14-26(29-24(15-31)17-34-38(29)20-23)22-7-8-28(32-16-22)36-9-11-37(12-10-36)30(40)27(39)13-21-5-3-2-4-6-21/h2-8,14,16-20,27,39H,9-13H2,1H3
InChIKeyFIGMUEQJIPCYBI-UHFFFAOYSA-N
MW532.61 g/mol
LogP2.92
Rot. Bonds6

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

4-[6-[4-(2-hydroxy-3-phenylpropanoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 126740279) has the molecular formula C30H28N8O2 and a molecular weight of 532.61 g/mol. Its IUPAC name is 4-[6-[4-(2-hydroxy-3-phenylpropanoyl)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-phenylpropanoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID126740279
Molecular FormulaC30H28N8O2
Molecular Weight532.61 g/mol
Exact Mass532.23
IUPAC Name4-[6-[4-(2-hydroxy-3-phenylpropanoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C(O)Cc5ccccc5)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C30H28N8O2/c1-35-19-25(18-33-35)23-14-26(29-24(15-31)17-34-38(29)20-23)22-7-8-28(32-16-22)36-9-11-37(12-10-36)30(40)27(39)13-21-5-3-2-4-6-21/h2-8,14,16-20,27,39H,9-13H2,1H3
InChIKeyFIGMUEQJIPCYBI-UHFFFAOYSA-N
XLogP2.92
TPSA115.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.61
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-[6-[4-(2-hydroxy-2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride
CID 135150193
4-[6-[4-[(2S)-2-hydroxy-3-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(5-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 135186572
4-[6-[4-[(3R)-3-hydroxy-3-phenylpropanoyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740388
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-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 126740093
4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-ethyl-N-methylpiperazine-1-carboxamide
CID 126740296
N-butyl-4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-phenylpiperazine-1-carboxamide
CID 126740076
4-[6-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 126740404
4-[6-[4-(cyclopentene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155776171
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
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
6-(1-methylpyrazol-4-yl)-4-[6-(4-prop-1-enylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 175933963

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(2-hydroxy-3-phenylpropanoyl)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-phenylpropanoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 126740279) is 4-[6-[4-(2-hydroxy-3-phenylpropanoyl)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-phenylpropanoyl)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-phenylpropanoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(-c3ccc(N4CCN(C(=O)C(O)Cc5ccccc5)CC4)nc3)c3c(C#N)cnn3c2)cn1.
What is the InChIKey of 4-[6-[4-(2-hydroxy-3-phenylpropanoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is FIGMUEQJIPCYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N8O2/c1-35-19-25(18-33-35)23-14-26(29-24(15-31)17-34-38(29)20-23)22-7-8-28(32-16-22)36-9-11-37(12-10-36)30(40)27(39)13-21-5-3-2-4-6-21/h2-8,14,16-20,27,39H,9-13H2,1H3.
What are the key properties of 4-[6-[4-(2-hydroxy-3-phenylpropanoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[4-(2-hydroxy-3-phenylpropanoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 532.61 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(2-hydroxy-3-phenylpropanoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 126740279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).