4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[5-methyl-1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C22H20FN7S — CID 171847303

IUPAC4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[5-methyl-1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1c(-c2cc(Sc3ncccc3F)c3c(C#N)cnn3c2)cnn1[C@H]1CCCNC1
InChIInChI=1S/C22H20FN7S/c1-14-18(12-28-30(14)17-4-2-6-25-11-17)15-8-20(31-22-19(23)5-3-7-26-22)21-16(9-24)10-27-29(21)13-15/h3,5,7-8,10,12-13,17,25H,2,4,6,11H2,1H3/t17-/m0/s1
InChIKeyLUSCKOGLKKTLPM-KRWDZBQOSA-N
MW433.52 g/mol
LogP3.99
Rot. Bonds4

About 4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[5-methyl-1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[5-methyl-1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171847303) has the molecular formula C22H20FN7S and a molecular weight of 433.52 g/mol. Its IUPAC name is 4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[5-methyl-1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[5-methyl-1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID171847303
Molecular FormulaC22H20FN7S
Molecular Weight433.52 g/mol
Exact Mass433.15
IUPAC Name4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[5-methyl-1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1c(-c2cc(Sc3ncccc3F)c3c(C#N)cnn3c2)cnn1[C@H]1CCCNC1
InChIInChI=1S/C22H20FN7S/c1-14-18(12-28-30(14)17-4-2-6-25-11-17)15-8-20(31-22-19(23)5-3-7-26-22)21-16(9-24)10-27-29(21)13-15/h3,5,7-8,10,12-13,17,25H,2,4,6,11H2,1H3/t17-/m0/s1
InChIKeyLUSCKOGLKKTLPM-KRWDZBQOSA-N
XLogP3.99
TPSA83.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[5-methyl-1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[5-methyl-1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171847303) is 4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[5-methyl-1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[5-methyl-1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[5-methyl-1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1c(-c2cc(Sc3ncccc3F)c3c(C#N)cnn3c2)cnn1[C@H]1CCCNC1.
What is the InChIKey of 4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[5-methyl-1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is LUSCKOGLKKTLPM-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H20FN7S/c1-14-18(12-28-30(14)17-4-2-6-25-11-17)15-8-20(31-22-19(23)5-3-7-26-22)21-16(9-24)10-27-29(21)13-15/h3,5,7-8,10,12-13,17,25H,2,4,6,11H2,1H3/t17-/m0/s1.
What are the key properties of 4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[5-methyl-1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[5-methyl-1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 433.52 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-2-pyridinyl)sulfanyl]-6-[5-methyl-1-[(3S)-piperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171847303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).