(6-amino-2-pyridinyl)sulfonyl 2-chloro-6-[3-(2-methylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;(6-amino-2-pyridinyl)sulfonyl 6-[3-(2-methylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxylate

C43H50ClN11O10S2 — CID 162054412

About (6-amino-2-pyridinyl)sulfonyl 2-chloro-6-[3-(2-methylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;(6-amino-2-pyridinyl)sulfonyl 6-[3-(2-methylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxylate

(6-amino-2-pyridinyl)sulfonyl 2-chloro-6-[3-(2-methylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;(6-amino-2-pyridinyl)sulfonyl 6-[3-(2-methylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxylate (PubChem CID 162054412) has the molecular formula C43H50ClN11O10S2 and a molecular weight of 980.53 g/mol. Its IUPAC name is (6-amino-2-pyridinyl)sulfonyl 2-chloro-6-[3-(2-methylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;(6-amino-2-pyridinyl)sulfonyl 6-[3-(2-methylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: (6-amino-2-pyridinyl)sulfonyl 2-chloro-6-[3-(2-methylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;(6-amino-2-pyridinyl)sulfonyl 6-[3-(2-methylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxylate
• PubChem CID: 162054412
• Molecular Formula: C43H50ClN11O10S2
• Molecular Weight: 980.53 g/mol
• Exact Mass: 979.29
• IUPAC Name: (6-amino-2-pyridinyl)sulfonyl 2-chloro-6-[3-(2-methylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;(6-amino-2-pyridinyl)sulfonyl 6-[3-(2-methylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxylate
• SMILES: CC(C)COc1ccn(-c2ccc(C(=O)OS(=O)(=O)c3cccc(N)n3)c(Cl)n2)n1.CC(C)COc1ccn(-c2ccc(C(=O)OS(=O)(=O)c3cccc(N)n3)c(N3C[C@@H](C)CC3(C)C)n2)n1
• InChI: InChI=1S/C25H32N6O5S.C18H18ClN5O5S/c1-16(2)15-35-21-11-12-31(29-21)20-10-9-18(23(28-20)30-14-17(3)13-25(30,4)5)24(32)36-37(33,34)22-8-6-7-19(26)27-22;1-11(2)10-28-15-8-9-24(23-15)14-7-6-12(17(19)22-14)18(25)29-30(26,27)16-5-3-4-13(20)21-16/h6-12,16-17H,13-15H2,1-5H3,(H2,26,27);3-9,11H,10H2,1-2H3,(H2,20,21)/t17-;/m0./s1
• InChIKey: YYZGLFZJEWNRNC-LMOVPXPDSA-N
• XLogP: 5.93
• TPSA: 281.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	980.53
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6-amino-2-pyridinyl)sulfonyl 2-chloro-6-[3-(2-methylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;(6-amino-2-pyridinyl)sulfonyl 6-[3-(2-methylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxylate?

The IUPAC name of (6-amino-2-pyridinyl)sulfonyl 2-chloro-6-[3-(2-methylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;(6-amino-2-pyridinyl)sulfonyl 6-[3-(2-methylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxylate (CID 162054412) is (6-amino-2-pyridinyl)sulfonyl 2-chloro-6-[3-(2-methylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;(6-amino-2-pyridinyl)sulfonyl 6-[3-(2-methylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxylate.

What is the SMILES notation for (6-amino-2-pyridinyl)sulfonyl 2-chloro-6-[3-(2-methylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;(6-amino-2-pyridinyl)sulfonyl 6-[3-(2-methylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxylate?

The canonical SMILES for (6-amino-2-pyridinyl)sulfonyl 2-chloro-6-[3-(2-methylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;(6-amino-2-pyridinyl)sulfonyl 6-[3-(2-methylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxylate is CC(C)COc1ccn(-c2ccc(C(=O)OS(=O)(=O)c3cccc(N)n3)c(Cl)n2)n1.CC(C)COc1ccn(-c2ccc(C(=O)OS(=O)(=O)c3cccc(N)n3)c(N3C[C@@H](C)CC3(C)C)n2)n1.

What is the InChIKey of (6-amino-2-pyridinyl)sulfonyl 2-chloro-6-[3-(2-methylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;(6-amino-2-pyridinyl)sulfonyl 6-[3-(2-methylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxylate?

The InChIKey is YYZGLFZJEWNRNC-LMOVPXPDSA-N. The full InChI is InChI=1S/C25H32N6O5S.C18H18ClN5O5S/c1-16(2)15-35-21-11-12-31(29-21)20-10-9-18(23(28-20)30-14-17(3)13-25(30,4)5)24(32)36-37(33,34)22-8-6-7-19(26)27-22;1-11(2)10-28-15-8-9-24(23-15)14-7-6-12(17(19)22-14)18(25)29-30(26,27)16-5-3-4-13(20)21-16/h6-12,16-17H,13-15H2,1-5H3,(H2,26,27);3-9,11H,10H2,1-2H3,(H2,20,21)/t17-;/m0./s1.

What are the key properties of (6-amino-2-pyridinyl)sulfonyl 2-chloro-6-[3-(2-methylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;(6-amino-2-pyridinyl)sulfonyl 6-[3-(2-methylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxylate?

(6-amino-2-pyridinyl)sulfonyl 2-chloro-6-[3-(2-methylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;(6-amino-2-pyridinyl)sulfonyl 6-[3-(2-methylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxylate has a molecular weight of 980.53 g/mol, XLogP of 5.93, 15 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (6-amino-2-pyridinyl)sulfonyl 2-chloro-6-[3-(2-methylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;(6-amino-2-pyridinyl)sulfonyl 6-[3-(2-methylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 162054412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).