6-[3-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C28H37N7O4S — CID 160772901

IUPAC6-[3-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(O[C@H]3C[C@@H]4CC[C@@H]3C4)n2)nc1N1C[C@@H](C)CC1(C)C
InChIInChI=1S/C28H37N7O4S/c1-17-14-28(3,4)34(15-17)26-21(27(36)32-40(37,38)23-16-33(5)30-18(23)2)8-9-24(29-26)35-11-10-25(31-35)39-22-13-19-6-7-20(22)12-19/h8-11,16-17,19-20,22H,6-7,12-15H2,1-5H3,(H,32,36)/t17-,19+,20+,22-/m0/s1
InChIKeySUQHKRHOBCCSOF-RYTRXMBJSA-N
MW567.72 g/mol
LogP3.62
Rot. Bonds7

About 6-[3-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

6-[3-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 160772901) has the molecular formula C28H37N7O4S and a molecular weight of 567.72 g/mol. Its IUPAC name is 6-[3-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID160772901
Molecular FormulaC28H37N7O4S
Molecular Weight567.72 g/mol
Exact Mass567.26
IUPAC Name6-[3-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(O[C@H]3C[C@@H]4CC[C@@H]3C4)n2)nc1N1C[C@@H](C)CC1(C)C
InChIInChI=1S/C28H37N7O4S/c1-17-14-28(3,4)34(15-17)26-21(27(36)32-40(37,38)23-16-33(5)30-18(23)2)8-9-24(29-26)35-11-10-25(31-35)39-22-13-19-6-7-20(22)12-19/h8-11,16-17,19-20,22H,6-7,12-15H2,1-5H3,(H,32,36)/t17-,19+,20+,22-/m0/s1
InChIKeySUQHKRHOBCCSOF-RYTRXMBJSA-N
XLogP3.62
TPSA124.24 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.72
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 6-[3-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

6-[3-[[(1S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;sulfane
CID 161191586
6-[3-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]oxy]pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfanyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 170396030
6-[3-(dicyclopropylmethoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 134587414
6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 134599424
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
N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 134587379
N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3-hydroxy-2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;sulfane
CID 158137282
6-[3-(3,3-dicyclopropylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;sulfane
CID 158820714
N-(1,3-dimethylpyrazol-4-yl)sulfonyl-6-[3-[3,3,3-trifluoro-2-(hydroxymethyl)-2-methylpropoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 134587429
CID 158070598
CID 158070598
CID 158070597
CID 158070597
6-(3-cyclopropyloxypyrazol-1-yl)-N-(1-methylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 134587303

Frequently Asked Questions

What is the IUPAC name of 6-[3-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[3-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 160772901) is 6-[3-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[3-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[3-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is Cc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(O[C@H]3C[C@@H]4CC[C@@H]3C4)n2)nc1N1C[C@@H](C)CC1(C)C.
What is the InChIKey of 6-[3-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is SUQHKRHOBCCSOF-RYTRXMBJSA-N. The full InChI is InChI=1S/C28H37N7O4S/c1-17-14-28(3,4)34(15-17)26-21(27(36)32-40(37,38)23-16-33(5)30-18(23)2)8-9-24(29-26)35-11-10-25(31-35)39-22-13-19-6-7-20(22)12-19/h8-11,16-17,19-20,22H,6-7,12-15H2,1-5H3,(H,32,36)/t17-,19+,20+,22-/m0/s1.
What are the key properties of 6-[3-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
6-[3-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 567.72 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 160772901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).