2-chloro-N-[[6-[[3-(5,5-dimethylpyrrolidin-3-yl)-2,2-difluoropropyl]amino]-2-pyridinyl]sulfonyl]-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide

C32H38ClF2N7O4S — CID 139389115

About 2-chloro-N-[[6-[[3-(5,5-dimethylpyrrolidin-3-yl)-2,2-difluoropropyl]amino]-2-pyridinyl]sulfonyl]-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide

2-chloro-N-[[6-[[3-(5,5-dimethylpyrrolidin-3-yl)-2,2-difluoropropyl]amino]-2-pyridinyl]sulfonyl]-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide (PubChem CID 139389115) has the molecular formula C32H38ClF2N7O4S and a molecular weight of 690.22 g/mol. Its IUPAC name is 2-chloro-N-[[6-[[3-(5,5-dimethylpyrrolidin-3-yl)-2,2-difluoropropyl]amino]-2-pyridinyl]sulfonyl]-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-N-[[6-[[3-(5,5-dimethylpyrrolidin-3-yl)-2,2-difluoropropyl]amino]-2-pyridinyl]sulfonyl]-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide
• PubChem CID: 139389115
• Molecular Formula: C32H38ClF2N7O4S
• Molecular Weight: 690.22 g/mol
• Exact Mass: 689.24
• IUPAC Name: 2-chloro-N-[[6-[[3-(5,5-dimethylpyrrolidin-3-yl)-2,2-difluoropropyl]amino]-2-pyridinyl]sulfonyl]-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide
• SMILES: CC1(C)CC(CC(F)(F)CNc2cccc(S(=O)(=O)NC(=O)c3ccc(-n4ccc(OCCC5C6(CC6)C56CC6)n4)nc3Cl)n2)CN1
• InChI: InChI=1S/C32H38ClF2N7O4S/c1-29(2)16-20(18-37-29)17-32(34,35)19-36-23-4-3-5-26(38-23)47(44,45)41-28(43)21-6-7-24(39-27(21)33)42-14-8-25(40-42)46-15-9-22-30(10-11-30)31(22)12-13-31/h3-8,14,20,22,37H,9-13,15-19H2,1-2H3,(H,36,38)(H,41,43)
• InChIKey: VRZOPEYFVCJYNI-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 140.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	690.22
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[6-[[3-(5,5-dimethylpyrrolidin-3-yl)-2,2-difluoropropyl]amino]-2-pyridinyl]sulfonyl]-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide?

The IUPAC name of 2-chloro-N-[[6-[[3-(5,5-dimethylpyrrolidin-3-yl)-2,2-difluoropropyl]amino]-2-pyridinyl]sulfonyl]-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide (CID 139389115) is 2-chloro-N-[[6-[[3-(5,5-dimethylpyrrolidin-3-yl)-2,2-difluoropropyl]amino]-2-pyridinyl]sulfonyl]-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for 2-chloro-N-[[6-[[3-(5,5-dimethylpyrrolidin-3-yl)-2,2-difluoropropyl]amino]-2-pyridinyl]sulfonyl]-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide?

The canonical SMILES for 2-chloro-N-[[6-[[3-(5,5-dimethylpyrrolidin-3-yl)-2,2-difluoropropyl]amino]-2-pyridinyl]sulfonyl]-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide is CC1(C)CC(CC(F)(F)CNc2cccc(S(=O)(=O)NC(=O)c3ccc(-n4ccc(OCCC5C6(CC6)C56CC6)n4)nc3Cl)n2)CN1.

What is the InChIKey of 2-chloro-N-[[6-[[3-(5,5-dimethylpyrrolidin-3-yl)-2,2-difluoropropyl]amino]-2-pyridinyl]sulfonyl]-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide?

The InChIKey is VRZOPEYFVCJYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38ClF2N7O4S/c1-29(2)16-20(18-37-29)17-32(34,35)19-36-23-4-3-5-26(38-23)47(44,45)41-28(43)21-6-7-24(39-27(21)33)42-14-8-25(40-42)46-15-9-22-30(10-11-30)31(22)12-13-31/h3-8,14,20,22,37H,9-13,15-19H2,1-2H3,(H,36,38)(H,41,43).

What are the key properties of 2-chloro-N-[[6-[[3-(5,5-dimethylpyrrolidin-3-yl)-2,2-difluoropropyl]amino]-2-pyridinyl]sulfonyl]-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide?

2-chloro-N-[[6-[[3-(5,5-dimethylpyrrolidin-3-yl)-2,2-difluoropropyl]amino]-2-pyridinyl]sulfonyl]-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide has a molecular weight of 690.22 g/mol, XLogP of 5.22, 13 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[[6-[[3-(5,5-dimethylpyrrolidin-3-yl)-2,2-difluoropropyl]amino]-2-pyridinyl]sulfonyl]-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 139389115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).