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

C27H26FN7OS — CID 171847446

IUPAC4-(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
SMILESCc1c(-c2cc(Sc3ccc(F)cc3C#N)c3c(C#N)cnn3c2)cnn1C1CCN([C@@H](C)CO)CC1
InChIInChI=1S/C27H26FN7OS/c1-17(16-36)33-7-5-23(6-8-33)35-18(2)24(14-32-35)20-10-26(27-21(12-30)13-31-34(27)15-20)37-25-4-3-22(28)9-19(25)11-29/h3-4,9-10,13-15,17,23,36H,5-8,16H2,1-2H3/t17-/m0/s1
InChIKeyWSZIENPMRHDHJN-KRWDZBQOSA-N
MW515.62 g/mol
LogP4.56
Rot. Bonds6

About 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

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 (PubChem CID 171847446) has the molecular formula C27H26FN7OS and a molecular weight of 515.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID171847446
Molecular FormulaC27H26FN7OS
Molecular Weight515.62 g/mol
Exact Mass515.19
IUPAC Name4-(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
SMILESCc1c(-c2cc(Sc3ccc(F)cc3C#N)c3c(C#N)cnn3c2)cnn1C1CCN([C@@H](C)CO)CC1
InChIInChI=1S/C27H26FN7OS/c1-17(16-36)33-7-5-23(6-8-33)35-18(2)24(14-32-35)20-10-26(27-21(12-30)13-31-34(27)15-20)37-25-4-3-22(28)9-19(25)11-29/h3-4,9-10,13-15,17,23,36H,5-8,16H2,1-2H3/t17-/m0/s1
InChIKeyWSZIENPMRHDHJN-KRWDZBQOSA-N
XLogP4.56
TPSA106.17 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.62
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(-c2cc(Sc3ccc(F)cc3C#N)c3c(C#N)cnn3c2)cnn1C1CCN([C@@H](C)CO)CC1.
What is the InChIKey of 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?
The InChIKey is WSZIENPMRHDHJN-KRWDZBQOSA-N. The full InChI is InChI=1S/C27H26FN7OS/c1-17(16-36)33-7-5-23(6-8-33)35-18(2)24(14-32-35)20-10-26(27-21(12-30)13-31-34(27)15-20)37-25-4-3-22(28)9-19(25)11-29/h3-4,9-10,13-15,17,23,36H,5-8,16H2,1-2H3/t17-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 515.62 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171847446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).