3-(methylsulfanylamino)-N-[3-(6-piperidin-3-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-5-yl]propanamide

C21H26N6OS — CID 176694780

IUPAC3-(methylsulfanylamino)-N-[3-(6-piperidin-3-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-5-yl]propanamide
SMILESCSNCCC(=O)Nc1ccn2ncc(-c3cccc(C4CCCNC4)n3)c2c1
InChIInChI=1S/C21H26N6OS/c1-29-24-10-7-21(28)25-16-8-11-27-20(12-16)17(14-23-27)19-6-2-5-18(26-19)15-4-3-9-22-13-15/h2,5-6,8,11-12,14-15,22,24H,3-4,7,9-10,13H2,1H3,(H,25,28)
InChIKeyZOFCRPQLGUHVKQ-UHFFFAOYSA-N
MW410.55 g/mol
LogP3.06
Rot. Bonds7

About 3-(methylsulfanylamino)-N-[3-(6-piperidin-3-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-5-yl]propanamide

3-(methylsulfanylamino)-N-[3-(6-piperidin-3-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-5-yl]propanamide (PubChem CID 176694780) has the molecular formula C21H26N6OS and a molecular weight of 410.55 g/mol. Its IUPAC name is 3-(methylsulfanylamino)-N-[3-(6-piperidin-3-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-5-yl]propanamide.

Molecular Properties

Compound Name3-(methylsulfanylamino)-N-[3-(6-piperidin-3-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-5-yl]propanamide
PubChem CID176694780
Molecular FormulaC21H26N6OS
Molecular Weight410.55 g/mol
Exact Mass410.19
IUPAC Name3-(methylsulfanylamino)-N-[3-(6-piperidin-3-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-5-yl]propanamide
SMILESCSNCCC(=O)Nc1ccn2ncc(-c3cccc(C4CCCNC4)n3)c2c1
InChIInChI=1S/C21H26N6OS/c1-29-24-10-7-21(28)25-16-8-11-27-20(12-16)17(14-23-27)19-6-2-5-18(26-19)15-4-3-9-22-13-15/h2,5-6,8,11-12,14-15,22,24H,3-4,7,9-10,13H2,1H3,(H,25,28)
InChIKeyZOFCRPQLGUHVKQ-UHFFFAOYSA-N
XLogP3.06
TPSA83.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.55
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfanylamino)-N-[3-(6-piperidin-3-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-5-yl]propanamide?
The IUPAC name of 3-(methylsulfanylamino)-N-[3-(6-piperidin-3-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-5-yl]propanamide (CID 176694780) is 3-(methylsulfanylamino)-N-[3-(6-piperidin-3-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-5-yl]propanamide.
What is the SMILES notation for 3-(methylsulfanylamino)-N-[3-(6-piperidin-3-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-5-yl]propanamide?
The canonical SMILES for 3-(methylsulfanylamino)-N-[3-(6-piperidin-3-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-5-yl]propanamide is CSNCCC(=O)Nc1ccn2ncc(-c3cccc(C4CCCNC4)n3)c2c1.
What is the InChIKey of 3-(methylsulfanylamino)-N-[3-(6-piperidin-3-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-5-yl]propanamide?
The InChIKey is ZOFCRPQLGUHVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6OS/c1-29-24-10-7-21(28)25-16-8-11-27-20(12-16)17(14-23-27)19-6-2-5-18(26-19)15-4-3-9-22-13-15/h2,5-6,8,11-12,14-15,22,24H,3-4,7,9-10,13H2,1H3,(H,25,28).
What are the key properties of 3-(methylsulfanylamino)-N-[3-(6-piperidin-3-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-5-yl]propanamide?
3-(methylsulfanylamino)-N-[3-(6-piperidin-3-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-5-yl]propanamide has a molecular weight of 410.55 g/mol, XLogP of 3.06, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfanylamino)-N-[3-(6-piperidin-3-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-5-yl]propanamide is sourced from PubChem (CID 176694780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).