6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(4-methylsulfonylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C29H26F2N8O2S — CID 155776111

IUPAC6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(4-methylsulfonylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCS(=O)(=O)c1ccc(CN2CCN(c3ccc(-c4cc(-c5cnn(C(F)F)c5)cn5ncc(C#N)c45)cn3)CC2)cc1
InChIInChI=1S/C29H26F2N8O2S/c1-42(40,41)25-5-2-20(3-6-25)17-36-8-10-37(11-9-36)27-7-4-21(14-33-27)26-12-22(24-16-35-39(19-24)29(30)31)18-38-28(26)23(13-32)15-34-38/h2-7,12,14-16,18-19,29H,8-11,17H2,1H3
InChIKeyDCWGPHRTJVRPCW-UHFFFAOYSA-N
MW588.64 g/mol
LogP4.25
Rot. Bonds7

About 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(4-methylsulfonylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(4-methylsulfonylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 155776111) has the molecular formula C29H26F2N8O2S and a molecular weight of 588.64 g/mol. Its IUPAC name is 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(4-methylsulfonylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(4-methylsulfonylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID155776111
Molecular FormulaC29H26F2N8O2S
Molecular Weight588.64 g/mol
Exact Mass588.19
IUPAC Name6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(4-methylsulfonylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCS(=O)(=O)c1ccc(CN2CCN(c3ccc(-c4cc(-c5cnn(C(F)F)c5)cn5ncc(C#N)c45)cn3)CC2)cc1
InChIInChI=1S/C29H26F2N8O2S/c1-42(40,41)25-5-2-20(3-6-25)17-36-8-10-37(11-9-36)27-7-4-21(14-33-27)26-12-22(24-16-35-39(19-24)29(30)31)18-38-28(26)23(13-32)15-34-38/h2-7,12,14-16,18-19,29H,8-11,17H2,1H3
InChIKeyDCWGPHRTJVRPCW-UHFFFAOYSA-N
XLogP4.25
TPSA112.42 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500588.64
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

(6R)-6-methyl-3-(4-methylsulfonylphenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 118720613
3-[1-(5-Ethylpyrimidin-2-yl)piperidin-4-yl]-6-(4-methylsulfonylphenyl)triazolo[4,5-c]pyridine
CID 68021959
1-[1-(5-Ethylpyrimidin-2-yl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine
CID 68022035
1-[1-(5-Methyl-2-pyridinyl)piperidin-4-yl]-5-(4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine
CID 127048821
6-[[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
CID 134455409
6-[[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile
CID 134456422
1-(5-Methylsulfonyl-2-pyridinyl)-5-phenyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 44438683
3-(Difluoromethyl)-1-(5-methylsulfonyl-2-pyridinyl)-5-phenylpyrazole-4-carbonitrile
CID 44438684
3-(Difluoromethyl)-5-(3,5-difluorophenyl)-1-(5-methylsulfonyl-2-pyridinyl)pyrazole-4-carbonitrile
CID 44438686
6-(4-methylsulfonylphenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 91664348
1-[1-(5-Ethylpyrimidin-2-yl)piperidin-4-yl]-5-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[3,4-c]pyridine
CID 127050519
3-[1-(5-Ethylpyrimidin-2-yl)piperidin-4-yl]-6-(3-fluoro-4-methylsulfonylphenyl)triazolo[4,5-c]pyridine
CID 137632950

Frequently Asked Questions

What is the IUPAC name of 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(4-methylsulfonylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(4-methylsulfonylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 155776111) is 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(4-methylsulfonylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(4-methylsulfonylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(4-methylsulfonylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CS(=O)(=O)c1ccc(CN2CCN(c3ccc(-c4cc(-c5cnn(C(F)F)c5)cn5ncc(C#N)c45)cn3)CC2)cc1.
What is the InChIKey of 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(4-methylsulfonylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is DCWGPHRTJVRPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F2N8O2S/c1-42(40,41)25-5-2-20(3-6-25)17-36-8-10-37(11-9-36)27-7-4-21(14-33-27)26-12-22(24-16-35-39(19-24)29(30)31)18-38-28(26)23(13-32)15-34-38/h2-7,12,14-16,18-19,29H,8-11,17H2,1H3.
What are the key properties of 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(4-methylsulfonylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(4-methylsulfonylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 588.64 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(4-methylsulfonylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 155776111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).