1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-N-propan-2-ylpiperidine-4-sulfonamide

C23H28N6O3S — CID 134436475

IUPAC1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-N-propan-2-ylpiperidine-4-sulfonamide
SMILESCCOc1cc(-c2ccc(N3CCC(S(=O)(=O)NC(C)C)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C23H28N6O3S/c1-4-32-19-11-21(23-18(12-24)14-26-29(23)15-19)17-5-6-22(25-13-17)28-9-7-20(8-10-28)33(30,31)27-16(2)3/h5-6,11,13-16,20,27H,4,7-10H2,1-3H3
InChIKeyYTHPCZUFYVESDB-UHFFFAOYSA-N
MW468.58 g/mol
LogP2.96
Rot. Bonds7

About 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-N-propan-2-ylpiperidine-4-sulfonamide

1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-N-propan-2-ylpiperidine-4-sulfonamide (PubChem CID 134436475) has the molecular formula C23H28N6O3S and a molecular weight of 468.58 g/mol. Its IUPAC name is 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-N-propan-2-ylpiperidine-4-sulfonamide.

Molecular Properties

Compound Name1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-N-propan-2-ylpiperidine-4-sulfonamide
PubChem CID134436475
Molecular FormulaC23H28N6O3S
Molecular Weight468.58 g/mol
Exact Mass468.19
IUPAC Name1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-N-propan-2-ylpiperidine-4-sulfonamide
SMILESCCOc1cc(-c2ccc(N3CCC(S(=O)(=O)NC(C)C)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C23H28N6O3S/c1-4-32-19-11-21(23-18(12-24)14-26-29(23)15-19)17-5-6-22(25-13-17)28-9-7-20(8-10-28)33(30,31)27-16(2)3/h5-6,11,13-16,20,27H,4,7-10H2,1-3H3
InChIKeyYTHPCZUFYVESDB-UHFFFAOYSA-N
XLogP2.96
TPSA112.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-N-propan-2-ylpiperidine-4-sulfonamide?
The IUPAC name of 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-N-propan-2-ylpiperidine-4-sulfonamide (CID 134436475) is 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-N-propan-2-ylpiperidine-4-sulfonamide.
What is the SMILES notation for 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-N-propan-2-ylpiperidine-4-sulfonamide?
The canonical SMILES for 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-N-propan-2-ylpiperidine-4-sulfonamide is CCOc1cc(-c2ccc(N3CCC(S(=O)(=O)NC(C)C)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-N-propan-2-ylpiperidine-4-sulfonamide?
The InChIKey is YTHPCZUFYVESDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3S/c1-4-32-19-11-21(23-18(12-24)14-26-29(23)15-19)17-5-6-22(25-13-17)28-9-7-20(8-10-28)33(30,31)27-16(2)3/h5-6,11,13-16,20,27H,4,7-10H2,1-3H3.
What are the key properties of 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-N-propan-2-ylpiperidine-4-sulfonamide?
1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-N-propan-2-ylpiperidine-4-sulfonamide has a molecular weight of 468.58 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-N-propan-2-ylpiperidine-4-sulfonamide is sourced from PubChem (CID 134436475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).