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

C24H30N6O4S — CID 134497164

IUPACN-[(3S,4S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-2-methylpropane-1-sulfonamide
SMILESCCOc1cc(-c2ccc(N3CC[C@H](NS(=O)(=O)CC(C)C)[C@@H](O)C3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C24H30N6O4S/c1-4-34-19-9-20(24-18(10-25)12-27-30(24)13-19)17-5-6-23(26-11-17)29-8-7-21(22(31)14-29)28-35(32,33)15-16(2)3/h5-6,9,11-13,16,21-22,28,31H,4,7-8,14-15H2,1-3H3/t21-,22-/m0/s1
InChIKeyJEOPUBNIWBPAQT-VXKWHMMOSA-N
MW498.61 g/mol
LogP2.18
Rot. Bonds8

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

N-[(3S,4S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-2-methylpropane-1-sulfonamide (PubChem CID 134497164) has the molecular formula C24H30N6O4S and a molecular weight of 498.61 g/mol. Its IUPAC name is N-[(3S,4S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3S,4S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-2-methylpropane-1-sulfonamide
PubChem CID134497164
Molecular FormulaC24H30N6O4S
Molecular Weight498.61 g/mol
Exact Mass498.20
IUPAC NameN-[(3S,4S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-2-methylpropane-1-sulfonamide
SMILESCCOc1cc(-c2ccc(N3CC[C@H](NS(=O)(=O)CC(C)C)[C@@H](O)C3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C24H30N6O4S/c1-4-34-19-9-20(24-18(10-25)12-27-30(24)13-19)17-5-6-23(26-11-17)29-8-7-21(22(31)14-29)28-35(32,33)15-16(2)3/h5-6,9,11-13,16,21-22,28,31H,4,7-8,14-15H2,1-3H3/t21-,22-/m0/s1
InChIKeyJEOPUBNIWBPAQT-VXKWHMMOSA-N
XLogP2.18
TPSA132.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-2-methylpropane-1-sulfonamide?
The IUPAC name of N-[(3S,4S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-2-methylpropane-1-sulfonamide (CID 134497164) is N-[(3S,4S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[(3S,4S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-[(3S,4S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-2-methylpropane-1-sulfonamide is CCOc1cc(-c2ccc(N3CC[C@H](NS(=O)(=O)CC(C)C)[C@@H](O)C3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of N-[(3S,4S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-2-methylpropane-1-sulfonamide?
The InChIKey is JEOPUBNIWBPAQT-VXKWHMMOSA-N. The full InChI is InChI=1S/C24H30N6O4S/c1-4-34-19-9-20(24-18(10-25)12-27-30(24)13-19)17-5-6-23(26-11-17)29-8-7-21(22(31)14-29)28-35(32,33)15-16(2)3/h5-6,9,11-13,16,21-22,28,31H,4,7-8,14-15H2,1-3H3/t21-,22-/m0/s1.
What are the key properties of N-[(3S,4S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-2-methylpropane-1-sulfonamide?
N-[(3S,4S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-2-methylpropane-1-sulfonamide has a molecular weight of 498.61 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 134497164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).