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

C29H34F3N5O5S — CID 134399399

IUPACN-(2-methoxy-4-methylphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCOc1cc(C)ccc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC3(C(F)(F)F)CC3)n2)nc1N1C[C@@H](C)CC1(C)C
InChIInChI=1S/C29H34F3N5O5S/c1-18-6-8-22(21(14-18)41-5)43(39,40)35-26(38)20-7-9-23(33-25(20)36-16-19(2)15-27(36,3)4)37-13-10-24(34-37)42-17-28(11-12-28)29(30,31)32/h6-10,13-14,19H,11-12,15-17H2,1-5H3,(H,35,38)/t19-/m0/s1
InChIKeyQMIUGTKXIOTTJQ-IBGZPJMESA-N
MW621.68 g/mol
LogP5.05
Rot. Bonds9

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

N-(2-methoxy-4-methylphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 134399399) has the molecular formula C29H34F3N5O5S and a molecular weight of 621.68 g/mol. Its IUPAC name is N-(2-methoxy-4-methylphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-4-methylphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID134399399
Molecular FormulaC29H34F3N5O5S
Molecular Weight621.68 g/mol
Exact Mass621.22
IUPAC NameN-(2-methoxy-4-methylphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCOc1cc(C)ccc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC3(C(F)(F)F)CC3)n2)nc1N1C[C@@H](C)CC1(C)C
InChIInChI=1S/C29H34F3N5O5S/c1-18-6-8-22(21(14-18)41-5)43(39,40)35-26(38)20-7-9-23(33-25(20)36-16-19(2)15-27(36,3)4)37-13-10-24(34-37)42-17-28(11-12-28)29(30,31)32/h6-10,13-14,19H,11-12,15-17H2,1-5H3,(H,35,38)/t19-/m0/s1
InChIKeyQMIUGTKXIOTTJQ-IBGZPJMESA-N
XLogP5.05
TPSA115.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.68
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-methylphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-(2-methoxy-4-methylphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 134399399) is N-(2-methoxy-4-methylphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-4-methylphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(2-methoxy-4-methylphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is COc1cc(C)ccc1S(=O)(=O)NC(=O)c1ccc(-n2ccc(OCC3(C(F)(F)F)CC3)n2)nc1N1C[C@@H](C)CC1(C)C.
What is the InChIKey of N-(2-methoxy-4-methylphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is QMIUGTKXIOTTJQ-IBGZPJMESA-N. The full InChI is InChI=1S/C29H34F3N5O5S/c1-18-6-8-22(21(14-18)41-5)43(39,40)35-26(38)20-7-9-23(33-25(20)36-16-19(2)15-27(36,3)4)37-13-10-24(34-37)42-17-28(11-12-28)29(30,31)32/h6-10,13-14,19H,11-12,15-17H2,1-5H3,(H,35,38)/t19-/m0/s1.
What are the key properties of N-(2-methoxy-4-methylphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
N-(2-methoxy-4-methylphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 621.68 g/mol, XLogP of 5.05, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-methylphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 134399399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).