N-[[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]benzenesulfonamide

C27H28N6O4S — CID 134435425

IUPACN-[[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]benzenesulfonamide
SMILESCCOc1cc(-c2ccc(N3CCC(O)(CNS(=O)(=O)c4ccccc4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C27H28N6O4S/c1-2-37-22-14-24(26-21(15-28)17-30-33(26)18-22)20-8-9-25(29-16-20)32-12-10-27(34,11-13-32)19-31-38(35,36)23-6-4-3-5-7-23/h3-9,14,16-18,31,34H,2,10-13,19H2,1H3
InChIKeyIXVHNXRWJJJSGO-UHFFFAOYSA-N
MW532.63 g/mol
LogP2.98
Rot. Bonds8

About N-[[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]benzenesulfonamide

N-[[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]benzenesulfonamide (PubChem CID 134435425) has the molecular formula C27H28N6O4S and a molecular weight of 532.63 g/mol. Its IUPAC name is N-[[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]benzenesulfonamide
PubChem CID134435425
Molecular FormulaC27H28N6O4S
Molecular Weight532.63 g/mol
Exact Mass532.19
IUPAC NameN-[[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]benzenesulfonamide
SMILESCCOc1cc(-c2ccc(N3CCC(O)(CNS(=O)(=O)c4ccccc4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C27H28N6O4S/c1-2-37-22-14-24(26-21(15-28)17-30-33(26)18-22)20-8-9-25(29-16-20)32-12-10-27(34,11-13-32)19-31-38(35,36)23-6-4-3-5-7-23/h3-9,14,16-18,31,34H,2,10-13,19H2,1H3
InChIKeyIXVHNXRWJJJSGO-UHFFFAOYSA-N
XLogP2.98
TPSA132.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.63
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]benzenesulfonamide with MolForge

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Related Compounds

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
6-ethoxy-4-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435526
N-[4-benzyl-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperidin-4-yl]formamide
CID 142326985
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-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435378
6-ethoxy-4-[6-[4-(5-phenylpent-4-ynoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146667309
6-ethoxy-4-[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 167643625
N-[1-[5-(3-cyano-6-propoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]benzamide
CID 165374205
6-ethoxy-4-[6-(4-prop-2-ynylsulfonylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146668359
4-[6-[4-[2-(3-cyano-2-pyridinyl)-2-oxoethyl]-4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 147012489
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

Frequently Asked Questions

What is the IUPAC name of N-[[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]benzenesulfonamide (CID 134435425) is N-[[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]benzenesulfonamide is CCOc1cc(-c2ccc(N3CCC(O)(CNS(=O)(=O)c4ccccc4)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of N-[[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is IXVHNXRWJJJSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O4S/c1-2-37-22-14-24(26-21(15-28)17-30-33(26)18-22)20-8-9-25(29-16-20)32-12-10-27(34,11-13-32)19-31-38(35,36)23-6-4-3-5-7-23/h3-9,14,16-18,31,34H,2,10-13,19H2,1H3.
What are the key properties of N-[[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]benzenesulfonamide?
N-[[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 532.63 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 134435425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).