ethane;6-(1-methylpyrazol-4-yl)-4-propan-2-ylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine

C24H38N6S — CID 171848450

IUPACethane;6-(1-methylpyrazol-4-yl)-4-propan-2-ylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine
SMILESC1CCNCC1.CC.CC.CC(C)Sc1cc(-c2cnn(C)c2)cn2ncc(C#N)c12
InChIInChI=1S/C15H15N5S.C5H11N.2C2H6/c1-10(2)21-14-4-11(13-7-17-19(3)8-13)9-20-15(14)12(5-16)6-18-20;1-2-4-6-5-3-1;2*1-2/h4,6-10H,1-3H3;6H,1-5H2;2*1-2H3
InChIKeyOQWMNXRHNBWYLV-UHFFFAOYSA-N
MW442.68 g/mol
LogP5.92
Rot. Bonds3

About ethane;6-(1-methylpyrazol-4-yl)-4-propan-2-ylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine

ethane;6-(1-methylpyrazol-4-yl)-4-propan-2-ylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine (PubChem CID 171848450) has the molecular formula C24H38N6S and a molecular weight of 442.68 g/mol. Its IUPAC name is ethane;6-(1-methylpyrazol-4-yl)-4-propan-2-ylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine.

Molecular Properties

Compound Nameethane;6-(1-methylpyrazol-4-yl)-4-propan-2-ylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine
PubChem CID171848450
Molecular FormulaC24H38N6S
Molecular Weight442.68 g/mol
Exact Mass442.29
IUPAC Nameethane;6-(1-methylpyrazol-4-yl)-4-propan-2-ylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine
SMILESC1CCNCC1.CC.CC.CC(C)Sc1cc(-c2cnn(C)c2)cn2ncc(C#N)c12
InChIInChI=1S/C15H15N5S.C5H11N.2C2H6/c1-10(2)21-14-4-11(13-7-17-19(3)8-13)9-20-15(14)12(5-16)6-18-20;1-2-4-6-5-3-1;2*1-2/h4,6-10H,1-3H3;6H,1-5H2;2*1-2H3
InChIKeyOQWMNXRHNBWYLV-UHFFFAOYSA-N
XLogP5.92
TPSA70.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.68
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-ylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride
CID 135150240
4-phenylsulfanyl-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine
CID 171848428
4-[(1R)-1-(2,6-dichlorophenyl)ethyl]sulfanyl-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847601
chloro hypochlorite;6-(1-methylpyrazol-4-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155267110
4-[(1R)-1-(2-chloro-6-methylphenyl)ethyl]sulfanyl-6-[1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847986
3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]azetidine-1-carboxylic acid
CID 175708996
4-(2-cyanophenyl)sulfanyl-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847302
4-[(4R)-azepan-4-yl]oxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 163302265
4-(6-heptan-2-yl-3-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155267217
4-[(4-methyl-3-pyridinyl)sulfanyl]-6-[1-[(3R)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848407
4-[(2R)-1-propan-2-yloxypropan-2-yl]sulfanyl-6-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848133
tert-butyl piperazine-1-carboxylate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate
CID 175714476

Frequently Asked Questions

What is the IUPAC name of ethane;6-(1-methylpyrazol-4-yl)-4-propan-2-ylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine?
The IUPAC name of ethane;6-(1-methylpyrazol-4-yl)-4-propan-2-ylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine (CID 171848450) is ethane;6-(1-methylpyrazol-4-yl)-4-propan-2-ylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine.
What is the SMILES notation for ethane;6-(1-methylpyrazol-4-yl)-4-propan-2-ylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine?
The canonical SMILES for ethane;6-(1-methylpyrazol-4-yl)-4-propan-2-ylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine is C1CCNCC1.CC.CC.CC(C)Sc1cc(-c2cnn(C)c2)cn2ncc(C#N)c12.
What is the InChIKey of ethane;6-(1-methylpyrazol-4-yl)-4-propan-2-ylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine?
The InChIKey is OQWMNXRHNBWYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5S.C5H11N.2C2H6/c1-10(2)21-14-4-11(13-7-17-19(3)8-13)9-20-15(14)12(5-16)6-18-20;1-2-4-6-5-3-1;2*1-2/h4,6-10H,1-3H3;6H,1-5H2;2*1-2H3.
What are the key properties of ethane;6-(1-methylpyrazol-4-yl)-4-propan-2-ylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine?
ethane;6-(1-methylpyrazol-4-yl)-4-propan-2-ylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine has a molecular weight of 442.68 g/mol, XLogP of 5.92, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-(1-methylpyrazol-4-yl)-4-propan-2-ylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine is sourced from PubChem (CID 171848450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).