2-[3-amino-6-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]sulfanyl-5-fluorobenzonitrile

C24H20FN7OS — CID 175637855

IUPAC2-[3-amino-6-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]sulfanyl-5-fluorobenzonitrile
SMILESCN1CCN(c2ccc(-c3cc(Sc4ccc(F)cc4C#N)c4c(N)cnn4c3)cn2)CC1=O
InChIInChI=1S/C24H20FN7OS/c1-30-6-7-31(14-23(30)33)22-5-2-15(11-28-22)17-9-21(24-19(27)12-29-32(24)13-17)34-20-4-3-18(25)8-16(20)10-26/h2-5,8-9,11-13H,6-7,14,27H2,1H3
InChIKeyJTPWKYGYAOXSAU-UHFFFAOYSA-N
MW473.54 g/mol
LogP3.42
Rot. Bonds4

About 2-[3-amino-6-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]sulfanyl-5-fluorobenzonitrile

2-[3-amino-6-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]sulfanyl-5-fluorobenzonitrile (PubChem CID 175637855) has the molecular formula C24H20FN7OS and a molecular weight of 473.54 g/mol. Its IUPAC name is 2-[3-amino-6-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]sulfanyl-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-[3-amino-6-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]sulfanyl-5-fluorobenzonitrile
PubChem CID175637855
Molecular FormulaC24H20FN7OS
Molecular Weight473.54 g/mol
Exact Mass473.14
IUPAC Name2-[3-amino-6-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]sulfanyl-5-fluorobenzonitrile
SMILESCN1CCN(c2ccc(-c3cc(Sc4ccc(F)cc4C#N)c4c(N)cnn4c3)cn2)CC1=O
InChIInChI=1S/C24H20FN7OS/c1-30-6-7-31(14-23(30)33)22-5-2-15(11-28-22)17-9-21(24-19(27)12-29-32(24)13-17)34-20-4-3-18(25)8-16(20)10-26/h2-5,8-9,11-13H,6-7,14,27H2,1H3
InChIKeyJTPWKYGYAOXSAU-UHFFFAOYSA-N
XLogP3.42
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[3-amino-6-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]sulfanyl-5-fluorobenzonitrile with MolForge

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Related Compounds

4-(2-cyano-4-fluorophenyl)sulfanyl-6-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847950
4-(2-cyano-4-fluorophenyl)sulfanyl-6-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848273
4-(2-cyano-4-fluorophenyl)sulfanyl-6-[6-[2-(hydroxymethyl)morpholin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171848552
4-(2-cyano-4-fluorophenyl)sulfanyl-6-[5-methyl-1-[(3S)-1-pyridin-2-ylpiperidin-3-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847296
4-(2-cyano-4-fluorophenyl)sulfanyl-6-[5-methyl-1-[(4S)-1,2,2-trimethylpiperidin-4-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847807
4-[6-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740053
2-[3-amino-6-[1-(1,3-dihydroxypropan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]sulfanylbenzonitrile
CID 175637805
4-(2-cyano-4-fluorophenyl)sulfanyl-6-[1-[(3R)-5,5-dimethylpyrrolidin-3-yl]-5-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847843
methyl (3S)-3-[4-[3-cyano-4-(2-cyano-4-fluorophenyl)sulfanylpyrazolo[1,5-a]pyridin-6-yl]-5-methylpyrazol-1-yl]piperidine-1-carboxylate
CID 171847831
4-[6-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740207
4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 126740093
4-(6-aminopyrimidin-4-yl)-1-methylpiperazin-2-one
CID 80843839

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-6-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]sulfanyl-5-fluorobenzonitrile?
The IUPAC name of 2-[3-amino-6-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]sulfanyl-5-fluorobenzonitrile (CID 175637855) is 2-[3-amino-6-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]sulfanyl-5-fluorobenzonitrile.
What is the SMILES notation for 2-[3-amino-6-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]sulfanyl-5-fluorobenzonitrile?
The canonical SMILES for 2-[3-amino-6-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]sulfanyl-5-fluorobenzonitrile is CN1CCN(c2ccc(-c3cc(Sc4ccc(F)cc4C#N)c4c(N)cnn4c3)cn2)CC1=O.
What is the InChIKey of 2-[3-amino-6-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]sulfanyl-5-fluorobenzonitrile?
The InChIKey is JTPWKYGYAOXSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN7OS/c1-30-6-7-31(14-23(30)33)22-5-2-15(11-28-22)17-9-21(24-19(27)12-29-32(24)13-17)34-20-4-3-18(25)8-16(20)10-26/h2-5,8-9,11-13H,6-7,14,27H2,1H3.
What are the key properties of 2-[3-amino-6-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]sulfanyl-5-fluorobenzonitrile?
2-[3-amino-6-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]sulfanyl-5-fluorobenzonitrile has a molecular weight of 473.54 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-6-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]sulfanyl-5-fluorobenzonitrile is sourced from PubChem (CID 175637855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).