2-[3-amino-6-[1-(1,3-dihydroxypropan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]sulfanylbenzonitrile

C20H18N6O2S — CID 175637805

IUPAC2-[3-amino-6-[1-(1,3-dihydroxypropan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]sulfanylbenzonitrile
SMILESN#Cc1ccccc1Sc1cc(-c2cnn(C(CO)CO)c2)cn2ncc(N)c12
InChIInChI=1S/C20H18N6O2S/c21-6-13-3-1-2-4-18(13)29-19-5-14(9-26-20(19)17(22)8-24-26)15-7-23-25(10-15)16(11-27)12-28/h1-5,7-10,16,27-28H,11-12,22H2
InChIKeySXOKNEQJNOBCAG-UHFFFAOYSA-N
MW406.47 g/mol
LogP2.33
Rot. Bonds6

About 2-[3-amino-6-[1-(1,3-dihydroxypropan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]sulfanylbenzonitrile

2-[3-amino-6-[1-(1,3-dihydroxypropan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]sulfanylbenzonitrile (PubChem CID 175637805) has the molecular formula C20H18N6O2S and a molecular weight of 406.47 g/mol. Its IUPAC name is 2-[3-amino-6-[1-(1,3-dihydroxypropan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]sulfanylbenzonitrile.

Molecular Properties

Compound Name2-[3-amino-6-[1-(1,3-dihydroxypropan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]sulfanylbenzonitrile
PubChem CID175637805
Molecular FormulaC20H18N6O2S
Molecular Weight406.47 g/mol
Exact Mass406.12
IUPAC Name2-[3-amino-6-[1-(1,3-dihydroxypropan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]sulfanylbenzonitrile
SMILESN#Cc1ccccc1Sc1cc(-c2cnn(C(CO)CO)c2)cn2ncc(N)c12
InChIInChI=1S/C20H18N6O2S/c21-6-13-3-1-2-4-18(13)29-19-5-14(9-26-20(19)17(22)8-24-26)15-7-23-25(10-15)16(11-27)12-28/h1-5,7-10,16,27-28H,11-12,22H2
InChIKeySXOKNEQJNOBCAG-UHFFFAOYSA-N
XLogP2.33
TPSA125.39 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

US11046686, Example 5
CID 146382355
4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[1-[(3R,4R)-3-hydroxypiperidin-4-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847230
4-(2-Cyano-4-fluorophenyl)sulfanyl-6-[1-(3-hydroxypropyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847251
4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-[(3R)-3,4-dihydroxybutyl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847268
4-(2-Cyano-4-fluorophenyl)sulfanyl-6-[1-(4-hydroxycyclohexyl)-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847273
6-[1-[(2R,3S)-3,4-dihydroxybutan-2-yl]-5-methylpyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847310
4-(2-Cyano-4-fluorophenyl)sulfanyl-6-[1-[1-(2-hydroxyacetyl)piperidin-4-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847329
4-(2-cyano-4-fluorophenyl)sulfanyl-6-[3-methyl-1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847331
6-[1-(1,3-Dihydroxypropan-2-yl)pyrazol-4-yl]-4-[(3-fluoro-2-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847343
4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[1-[(3R,4S)-3-hydroxypiperidin-4-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847424
4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-[1-[(2S)-1-hydroxypropan-2-yl]piperidin-4-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847446
4-(2-Cyano-4-fluorophenyl)sulfanyl-6-[1-[1-(2-hydroxyacetyl)piperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847462

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-6-[1-(1,3-dihydroxypropan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]sulfanylbenzonitrile?
The IUPAC name of 2-[3-amino-6-[1-(1,3-dihydroxypropan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]sulfanylbenzonitrile (CID 175637805) is 2-[3-amino-6-[1-(1,3-dihydroxypropan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]sulfanylbenzonitrile.
What is the SMILES notation for 2-[3-amino-6-[1-(1,3-dihydroxypropan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]sulfanylbenzonitrile?
The canonical SMILES for 2-[3-amino-6-[1-(1,3-dihydroxypropan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]sulfanylbenzonitrile is N#Cc1ccccc1Sc1cc(-c2cnn(C(CO)CO)c2)cn2ncc(N)c12.
What is the InChIKey of 2-[3-amino-6-[1-(1,3-dihydroxypropan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]sulfanylbenzonitrile?
The InChIKey is SXOKNEQJNOBCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2S/c21-6-13-3-1-2-4-18(13)29-19-5-14(9-26-20(19)17(22)8-24-26)15-7-23-25(10-15)16(11-27)12-28/h1-5,7-10,16,27-28H,11-12,22H2.
What are the key properties of 2-[3-amino-6-[1-(1,3-dihydroxypropan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]sulfanylbenzonitrile?
2-[3-amino-6-[1-(1,3-dihydroxypropan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]sulfanylbenzonitrile has a molecular weight of 406.47 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-6-[1-(1,3-dihydroxypropan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]sulfanylbenzonitrile is sourced from PubChem (CID 175637805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).