N-[3-[4-[[(Z)-3-amino-2-(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-6-yl)prop-2-enylidene]amino]piperidine-1-carbonyl]cyclobutyl]ethenesulfonamide

C24H29N7O4S — CID 164705080

About N-[3-[4-[[(Z)-3-amino-2-(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-6-yl)prop-2-enylidene]amino]piperidine-1-carbonyl]cyclobutyl]ethenesulfonamide

N-[3-[4-[[(Z)-3-amino-2-(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-6-yl)prop-2-enylidene]amino]piperidine-1-carbonyl]cyclobutyl]ethenesulfonamide (PubChem CID 164705080) has the molecular formula C24H29N7O4S and a molecular weight of 511.61 g/mol. Its IUPAC name is N-[3-[4-[[(Z)-3-amino-2-(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-6-yl)prop-2-enylidene]amino]piperidine-1-carbonyl]cyclobutyl]ethenesulfonamide.

Molecular Properties

• Compound Name: N-[3-[4-[[(Z)-3-amino-2-(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-6-yl)prop-2-enylidene]amino]piperidine-1-carbonyl]cyclobutyl]ethenesulfonamide
• PubChem CID: 164705080
• Molecular Formula: C24H29N7O4S
• Molecular Weight: 511.61 g/mol
• Exact Mass: 511.20
• IUPAC Name: N-[3-[4-[[(Z)-3-amino-2-(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-6-yl)prop-2-enylidene]amino]piperidine-1-carbonyl]cyclobutyl]ethenesulfonamide
• SMILES: C=CS(=O)(=O)NC1CC(C(=O)N2CCC(/N=C/C(=C\N)c3cc(OC)c4c(C#N)cnn4c3)CC2)C1
• InChI: InChI=1S/C24H29N7O4S/c1-3-36(33,34)29-21-8-16(9-21)24(32)30-6-4-20(5-7-30)27-13-18(11-25)17-10-22(35-2)23-19(12-26)14-28-31(23)15-17/h3,10-11,13-16,20-21,29H,1,4-9,25H2,2H3/b18-11+,27-13+
• InChIKey: JZSZNWUUXYXQIL-WAJUAOMWSA-N
• XLogP: 1.42
• TPSA: 155.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.61
LogP ≤ 5	1.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[[(Z)-3-amino-2-(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-6-yl)prop-2-enylidene]amino]piperidine-1-carbonyl]cyclobutyl]ethenesulfonamide?

The IUPAC name of N-[3-[4-[[(Z)-3-amino-2-(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-6-yl)prop-2-enylidene]amino]piperidine-1-carbonyl]cyclobutyl]ethenesulfonamide (CID 164705080) is N-[3-[4-[[(Z)-3-amino-2-(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-6-yl)prop-2-enylidene]amino]piperidine-1-carbonyl]cyclobutyl]ethenesulfonamide.

What is the SMILES notation for N-[3-[4-[[(Z)-3-amino-2-(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-6-yl)prop-2-enylidene]amino]piperidine-1-carbonyl]cyclobutyl]ethenesulfonamide?

The canonical SMILES for N-[3-[4-[[(Z)-3-amino-2-(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-6-yl)prop-2-enylidene]amino]piperidine-1-carbonyl]cyclobutyl]ethenesulfonamide is C=CS(=O)(=O)NC1CC(C(=O)N2CCC(/N=C/C(=C\N)c3cc(OC)c4c(C#N)cnn4c3)CC2)C1.

What is the InChIKey of N-[3-[4-[[(Z)-3-amino-2-(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-6-yl)prop-2-enylidene]amino]piperidine-1-carbonyl]cyclobutyl]ethenesulfonamide?

The InChIKey is JZSZNWUUXYXQIL-WAJUAOMWSA-N. The full InChI is InChI=1S/C24H29N7O4S/c1-3-36(33,34)29-21-8-16(9-21)24(32)30-6-4-20(5-7-30)27-13-18(11-25)17-10-22(35-2)23-19(12-26)14-28-31(23)15-17/h3,10-11,13-16,20-21,29H,1,4-9,25H2,2H3/b18-11+,27-13+.

What are the key properties of N-[3-[4-[[(Z)-3-amino-2-(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-6-yl)prop-2-enylidene]amino]piperidine-1-carbonyl]cyclobutyl]ethenesulfonamide?

N-[3-[4-[[(Z)-3-amino-2-(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-6-yl)prop-2-enylidene]amino]piperidine-1-carbonyl]cyclobutyl]ethenesulfonamide has a molecular weight of 511.61 g/mol, XLogP of 1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-[[(Z)-3-amino-2-(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-6-yl)prop-2-enylidene]amino]piperidine-1-carbonyl]cyclobutyl]ethenesulfonamide is sourced from PubChem (CID 164705080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).