N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[(trimethyl-λ4-sulfanyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C25H37N7O4S2 — CID 153353026

About N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[(trimethyl-λ4-sulfanyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[(trimethyl-λ4-sulfanyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 153353026) has the molecular formula C25H37N7O4S2 and a molecular weight of 563.75 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[(trimethyl-λ4-sulfanyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[(trimethyl-λ4-sulfanyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• PubChem CID: 153353026
• Molecular Formula: C25H37N7O4S2
• Molecular Weight: 563.75 g/mol
• Exact Mass: 563.23
• IUPAC Name: N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[(trimethyl-λ4-sulfanyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• SMILES: Cc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCS(C)(C)C)n2)nc1N1C[C@@H](C)CC1(C)C
• InChI: InChI=1S/C25H37N7O4S2/c1-17-13-25(3,4)31(14-17)23-19(24(33)29-38(34,35)20-15-30(5)27-18(20)2)9-10-21(26-23)32-12-11-22(28-32)36-16-37(6,7)8/h9-12,15,17H,13-14,16H2,1-8H3,(H,29,33)/t17-/m0/s1
• InChIKey: YYCPBLMGNPVQNO-KRWDZBQOSA-N
• XLogP: 3.08
• TPSA: 124.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.75
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[(trimethyl-λ4-sulfanyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[(trimethyl-λ4-sulfanyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 153353026) is N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[(trimethyl-λ4-sulfanyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[(trimethyl-λ4-sulfanyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[(trimethyl-λ4-sulfanyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is Cc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCS(C)(C)C)n2)nc1N1C[C@@H](C)CC1(C)C.

What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[(trimethyl-λ4-sulfanyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The InChIKey is YYCPBLMGNPVQNO-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H37N7O4S2/c1-17-13-25(3,4)31(14-17)23-19(24(33)29-38(34,35)20-15-30(5)27-18(20)2)9-10-21(26-23)32-12-11-22(28-32)36-16-37(6,7)8/h9-12,15,17H,13-14,16H2,1-8H3,(H,29,33)/t17-/m0/s1.

What are the key properties of N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[(trimethyl-λ4-sulfanyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[(trimethyl-λ4-sulfanyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 563.75 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[(trimethyl-λ4-sulfanyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 153353026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).