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

C28H25F2N9S — CID 155576281

IUPAC6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(6-methylsulfanyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCSc1ccc(CN2CCN(c3ccc(-c4cc(-c5cnn(C(F)F)c5)cn5ncc(C#N)c45)cn3)CC2)cn1
InChIInChI=1S/C28H25F2N9S/c1-40-26-5-2-19(12-33-26)16-36-6-8-37(9-7-36)25-4-3-20(13-32-25)24-10-21(23-15-35-39(18-23)28(29)30)17-38-27(24)22(11-31)14-34-38/h2-5,10,12-15,17-18,28H,6-9,16H2,1H3
InChIKeyCJPUFBNGXKOODY-UHFFFAOYSA-N
MW557.63 g/mol
LogP4.97
Rot. Bonds7

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

6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(6-methylsulfanyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 155576281) has the molecular formula C28H25F2N9S and a molecular weight of 557.63 g/mol. Its IUPAC name is 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(6-methylsulfanyl-3-pyridinyl)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-[(6-methylsulfanyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID155576281
Molecular FormulaC28H25F2N9S
Molecular Weight557.63 g/mol
Exact Mass557.19
IUPAC Name6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(6-methylsulfanyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCSc1ccc(CN2CCN(c3ccc(-c4cc(-c5cnn(C(F)F)c5)cn5ncc(C#N)c45)cn3)CC2)cn1
InChIInChI=1S/C28H25F2N9S/c1-40-26-5-2-19(12-33-26)16-36-6-8-37(9-7-36)25-4-3-20(13-32-25)24-10-21(23-15-35-39(18-23)28(29)30)17-38-27(24)22(11-31)14-34-38/h2-5,10,12-15,17-18,28H,6-9,16H2,1H3
InChIKeyCJPUFBNGXKOODY-UHFFFAOYSA-N
XLogP4.97
TPSA91.17 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.63
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(6-methylsulfanyl-3-pyridinyl)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-[(6-methylsulfanyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 155576281) is 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(6-methylsulfanyl-3-pyridinyl)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-[(6-methylsulfanyl-3-pyridinyl)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-[(6-methylsulfanyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CSc1ccc(CN2CCN(c3ccc(-c4cc(-c5cnn(C(F)F)c5)cn5ncc(C#N)c45)cn3)CC2)cn1.
What is the InChIKey of 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(6-methylsulfanyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is CJPUFBNGXKOODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F2N9S/c1-40-26-5-2-19(12-33-26)16-36-6-8-37(9-7-36)25-4-3-20(13-32-25)24-10-21(23-15-35-39(18-23)28(29)30)17-38-27(24)22(11-31)14-34-38/h2-5,10,12-15,17-18,28H,6-9,16H2,1H3.
What are the key properties of 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(6-methylsulfanyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(6-methylsulfanyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 557.63 g/mol, XLogP of 4.97, 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-[(6-methylsulfanyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 155576281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).