6-ethoxy-4-[6-[4-hydroxy-4-[[(4-methylphenyl)sulfanylamino]methyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C28H30N6O2S — CID 134436051

IUPAC6-ethoxy-4-[6-[4-hydroxy-4-[[(4-methylphenyl)sulfanylamino]methyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3CCC(O)(CNSc4ccc(C)cc4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C28H30N6O2S/c1-3-36-23-14-25(27-22(15-29)17-31-34(27)18-23)21-6-9-26(30-16-21)33-12-10-28(35,11-13-33)19-32-37-24-7-4-20(2)5-8-24/h4-9,14,16-18,32,35H,3,10-13,19H2,1-2H3
InChIKeyYFAKBVADXGAIQM-UHFFFAOYSA-N
MW514.66 g/mol
LogP4.60
Rot. Bonds8

About 6-ethoxy-4-[6-[4-hydroxy-4-[[(4-methylphenyl)sulfanylamino]methyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-ethoxy-4-[6-[4-hydroxy-4-[[(4-methylphenyl)sulfanylamino]methyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134436051) has the molecular formula C28H30N6O2S and a molecular weight of 514.66 g/mol. Its IUPAC name is 6-ethoxy-4-[6-[4-hydroxy-4-[[(4-methylphenyl)sulfanylamino]methyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-ethoxy-4-[6-[4-hydroxy-4-[[(4-methylphenyl)sulfanylamino]methyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134436051
Molecular FormulaC28H30N6O2S
Molecular Weight514.66 g/mol
Exact Mass514.22
IUPAC Name6-ethoxy-4-[6-[4-hydroxy-4-[[(4-methylphenyl)sulfanylamino]methyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3CCC(O)(CNSc4ccc(C)cc4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C28H30N6O2S/c1-3-36-23-14-25(27-22(15-29)17-31-34(27)18-23)21-6-9-26(30-16-21)33-12-10-28(35,11-13-33)19-32-37-24-7-4-20(2)5-8-24/h4-9,14,16-18,32,35H,3,10-13,19H2,1-2H3
InChIKeyYFAKBVADXGAIQM-UHFFFAOYSA-N
XLogP4.60
TPSA98.71 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.66
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]benzenesulfonamide
CID 134435425
ethyl N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate
CID 134436093
6-ethoxy-4-[6-[1-(4-methoxyphenyl)sulfanyl-1,6-diazaspiro[2.5]octan-6-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 142326598
6-ethoxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435378
4-[6-[4-hydroxy-4-[(4-methylphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435682
6-ethoxy-4-[6-[4-[hydroxy-(2-methylpropylamino)methyl]-4-methylpiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146322505
6-ethoxy-4-[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 167643625
4-[6-[4-[(3S)-3,4-dimethylpentanoyl]-4-methylpiperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 153041225
1-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]-3-prop-2-ynylurea
CID 146667825
N-[4-benzyl-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl]formamide
CID 142326985
1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-ethyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 134436096
6-ethoxy-4-[6-(9-methyl-2,9-diazaspiro[4.5]decan-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134496409

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-[6-[4-hydroxy-4-[[(4-methylphenyl)sulfanylamino]methyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-ethoxy-4-[6-[4-hydroxy-4-[[(4-methylphenyl)sulfanylamino]methyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134436051) is 6-ethoxy-4-[6-[4-hydroxy-4-[[(4-methylphenyl)sulfanylamino]methyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-ethoxy-4-[6-[4-hydroxy-4-[[(4-methylphenyl)sulfanylamino]methyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-ethoxy-4-[6-[4-hydroxy-4-[[(4-methylphenyl)sulfanylamino]methyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CCOc1cc(-c2ccc(N3CCC(O)(CNSc4ccc(C)cc4)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 6-ethoxy-4-[6-[4-hydroxy-4-[[(4-methylphenyl)sulfanylamino]methyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is YFAKBVADXGAIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O2S/c1-3-36-23-14-25(27-22(15-29)17-31-34(27)18-23)21-6-9-26(30-16-21)33-12-10-28(35,11-13-33)19-32-37-24-7-4-20(2)5-8-24/h4-9,14,16-18,32,35H,3,10-13,19H2,1-2H3.
What are the key properties of 6-ethoxy-4-[6-[4-hydroxy-4-[[(4-methylphenyl)sulfanylamino]methyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-ethoxy-4-[6-[4-hydroxy-4-[[(4-methylphenyl)sulfanylamino]methyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 514.66 g/mol, XLogP of 4.60, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-[6-[4-hydroxy-4-[[(4-methylphenyl)sulfanylamino]methyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134436051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).