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

C26H30N8O2S — CID 126752966

IUPAC4-[6-[4-(2,2-dimethylpropylsulfonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4CCN(S(=O)(=O)CC(C)(C)C)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C26H30N8O2S/c1-26(2,3)18-37(35,36)33-9-7-32(8-10-33)24-6-5-19(13-28-24)23-11-20(22-15-29-31(4)16-22)17-34-25(23)21(12-27)14-30-34/h5-6,11,13-17H,7-10,18H2,1-4H3
InChIKeyJHIVITGNSLYBDT-UHFFFAOYSA-N
MW518.65 g/mol
LogP3.17
Rot. Bonds5

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

4-[6-[4-(2,2-dimethylpropylsulfonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 126752966) has the molecular formula C26H30N8O2S and a molecular weight of 518.65 g/mol. Its IUPAC name is 4-[6-[4-(2,2-dimethylpropylsulfonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[4-(2,2-dimethylpropylsulfonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID126752966
Molecular FormulaC26H30N8O2S
Molecular Weight518.65 g/mol
Exact Mass518.22
IUPAC Name4-[6-[4-(2,2-dimethylpropylsulfonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4CCN(S(=O)(=O)CC(C)(C)C)CC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C26H30N8O2S/c1-26(2,3)18-37(35,36)33-9-7-32(8-10-33)24-6-5-19(13-28-24)23-11-20(22-15-29-31(4)16-22)17-34-25(23)21(12-27)14-30-34/h5-6,11,13-17H,7-10,18H2,1-4H3
InChIKeyJHIVITGNSLYBDT-UHFFFAOYSA-N
XLogP3.17
TPSA112.42 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.65
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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
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-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 148655588
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
tert-butyl N-[2-[4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]ethyl]carbamate
CID 126752988
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
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
4-[6-[4-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740393
chloro hypochlorite;6-(1-methylpyrazol-4-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155267110
tert-butyl N-tert-butyl-N-[2-[4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]carbamate
CID 126740126

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(2,2-dimethylpropylsulfonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[4-(2,2-dimethylpropylsulfonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 126752966) is 4-[6-[4-(2,2-dimethylpropylsulfonyl)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-(2,2-dimethylpropylsulfonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-(2,2-dimethylpropylsulfonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(-c3ccc(N4CCN(S(=O)(=O)CC(C)(C)C)CC4)nc3)c3c(C#N)cnn3c2)cn1.
What is the InChIKey of 4-[6-[4-(2,2-dimethylpropylsulfonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is JHIVITGNSLYBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O2S/c1-26(2,3)18-37(35,36)33-9-7-32(8-10-33)24-6-5-19(13-28-24)23-11-20(22-15-29-31(4)16-22)17-34-25(23)21(12-27)14-30-34/h5-6,11,13-17H,7-10,18H2,1-4H3.
What are the key properties of 4-[6-[4-(2,2-dimethylpropylsulfonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[4-(2,2-dimethylpropylsulfonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 518.65 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(2,2-dimethylpropylsulfonyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 126752966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).