2-[(4S)-4-ethyl-2,2,4-trimethylpyrrolidin-1-yl]-N-(2-methylphenyl)sulfonyl-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide

C33H45N5O4S — CID 134398537

IUPAC2-[(4S)-4-ethyl-2,2,4-trimethylpyrrolidin-1-yl]-N-(2-methylphenyl)sulfonyl-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide
SMILESCC[C@]1(C)CN(c2nc(-n3ccc(OCC4C(C)(C)C4(C)C)n3)ccc2C(=O)NS(=O)(=O)c2ccccc2C)C(C)(C)C1
InChIInChI=1S/C33H45N5O4S/c1-10-33(9)20-30(3,4)37(21-33)28-23(29(39)36-43(40,41)24-14-12-11-13-22(24)2)15-16-26(34-28)38-18-17-27(35-38)42-19-25-31(5,6)32(25,7)8/h11-18,25H,10,19-21H2,1-9H3,(H,36,39)/t33-/m0/s1
InChIKeyQHLCEQCEOICKNT-XIFFEERXSA-N
MW607.82 g/mol
LogP6.16
Rot. Bonds9

About 2-[(4S)-4-ethyl-2,2,4-trimethylpyrrolidin-1-yl]-N-(2-methylphenyl)sulfonyl-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide

2-[(4S)-4-ethyl-2,2,4-trimethylpyrrolidin-1-yl]-N-(2-methylphenyl)sulfonyl-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide (PubChem CID 134398537) has the molecular formula C33H45N5O4S and a molecular weight of 607.82 g/mol. Its IUPAC name is 2-[(4S)-4-ethyl-2,2,4-trimethylpyrrolidin-1-yl]-N-(2-methylphenyl)sulfonyl-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(4S)-4-ethyl-2,2,4-trimethylpyrrolidin-1-yl]-N-(2-methylphenyl)sulfonyl-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide
PubChem CID134398537
Molecular FormulaC33H45N5O4S
Molecular Weight607.82 g/mol
Exact Mass607.32
IUPAC Name2-[(4S)-4-ethyl-2,2,4-trimethylpyrrolidin-1-yl]-N-(2-methylphenyl)sulfonyl-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide
SMILESCC[C@]1(C)CN(c2nc(-n3ccc(OCC4C(C)(C)C4(C)C)n3)ccc2C(=O)NS(=O)(=O)c2ccccc2C)C(C)(C)C1
InChIInChI=1S/C33H45N5O4S/c1-10-33(9)20-30(3,4)37(21-33)28-23(29(39)36-43(40,41)24-14-12-11-13-22(24)2)15-16-26(34-28)38-18-17-27(35-38)42-19-25-31(5,6)32(25,7)8/h11-18,25H,10,19-21H2,1-9H3,(H,36,39)/t33-/m0/s1
InChIKeyQHLCEQCEOICKNT-XIFFEERXSA-N
XLogP6.16
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.82
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[(4S)-4-ethyl-2,2,4-trimethylpyrrolidin-1-yl]-N-(2-methylphenyl)sulfonyl-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-ethyl-2,2,4-trimethylpyrrolidin-1-yl]-N-(2-methylphenyl)sulfonyl-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[(4S)-4-ethyl-2,2,4-trimethylpyrrolidin-1-yl]-N-(2-methylphenyl)sulfonyl-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide (CID 134398537) is 2-[(4S)-4-ethyl-2,2,4-trimethylpyrrolidin-1-yl]-N-(2-methylphenyl)sulfonyl-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(4S)-4-ethyl-2,2,4-trimethylpyrrolidin-1-yl]-N-(2-methylphenyl)sulfonyl-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[(4S)-4-ethyl-2,2,4-trimethylpyrrolidin-1-yl]-N-(2-methylphenyl)sulfonyl-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide is CC[C@]1(C)CN(c2nc(-n3ccc(OCC4C(C)(C)C4(C)C)n3)ccc2C(=O)NS(=O)(=O)c2ccccc2C)C(C)(C)C1.
What is the InChIKey of 2-[(4S)-4-ethyl-2,2,4-trimethylpyrrolidin-1-yl]-N-(2-methylphenyl)sulfonyl-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide?
The InChIKey is QHLCEQCEOICKNT-XIFFEERXSA-N. The full InChI is InChI=1S/C33H45N5O4S/c1-10-33(9)20-30(3,4)37(21-33)28-23(29(39)36-43(40,41)24-14-12-11-13-22(24)2)15-16-26(34-28)38-18-17-27(35-38)42-19-25-31(5,6)32(25,7)8/h11-18,25H,10,19-21H2,1-9H3,(H,36,39)/t33-/m0/s1.
What are the key properties of 2-[(4S)-4-ethyl-2,2,4-trimethylpyrrolidin-1-yl]-N-(2-methylphenyl)sulfonyl-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide?
2-[(4S)-4-ethyl-2,2,4-trimethylpyrrolidin-1-yl]-N-(2-methylphenyl)sulfonyl-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide has a molecular weight of 607.82 g/mol, XLogP of 6.16, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-ethyl-2,2,4-trimethylpyrrolidin-1-yl]-N-(2-methylphenyl)sulfonyl-6-[3-[(2,2,3,3-tetramethylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 134398537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).