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

C28H25F2N9O2S — CID 155576265

IUPAC6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(6-methylsulfonyl-3-pyridinyl)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)cn1
InChIInChI=1S/C28H25F2N9O2S/c1-42(40,41)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
InChIKeyNUDOSCDODHOEQW-UHFFFAOYSA-N
MW589.63 g/mol
LogP3.65
Rot. Bonds7

About 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(6-methylsulfonyl-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-methylsulfonyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 155576265) has the molecular formula C28H25F2N9O2S and a molecular weight of 589.63 g/mol. Its IUPAC name is 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(6-methylsulfonyl-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-methylsulfonyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID155576265
Molecular FormulaC28H25F2N9O2S
Molecular Weight589.63 g/mol
Exact Mass589.18
IUPAC Name6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(6-methylsulfonyl-3-pyridinyl)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)cn1
InChIInChI=1S/C28H25F2N9O2S/c1-42(40,41)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
InChIKeyNUDOSCDODHOEQW-UHFFFAOYSA-N
XLogP3.65
TPSA125.31 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.63
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Related Compounds

CID 127048821
CID 127048821
CID 118032933
CID 118032933
CID 122687190
CID 122687190
CID 124199749
CID 124199749
CID 124199892
CID 124199892
CID 124199893
CID 124199893
CID 124199897
CID 124199897
CID 124199963
CID 124199963
CID 124200114
CID 124200114
CID 124200164
CID 124200164
CID 124200486
CID 124200486
CID 126740053
CID 126740053

Frequently Asked Questions

What is the IUPAC name of 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(6-methylsulfonyl-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-methylsulfonyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 155576265) is 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(6-methylsulfonyl-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-methylsulfonyl-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-methylsulfonyl-3-pyridinyl)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)cn1.
What is the InChIKey of 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(6-methylsulfonyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is NUDOSCDODHOEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F2N9O2S/c1-42(40,41)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-methylsulfonyl-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-methylsulfonyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 589.63 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[4-[(6-methylsulfonyl-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 155576265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).