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

C28H32F3N5O5S — CID 134393688

IUPACN-(3-methoxyphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCOc1cccc(S(=O)(=O)NC(=O)c2ccc(-n3ccc(OCC4(C(F)(F)F)CC4)n3)nc2N2C[C@@H](C)CC2(C)C)c1
InChIInChI=1S/C28H32F3N5O5S/c1-18-15-26(2,3)35(16-18)24-21(25(37)34-42(38,39)20-7-5-6-19(14-20)40-4)8-9-22(32-24)36-13-10-23(33-36)41-17-27(11-12-27)28(29,30)31/h5-10,13-14,18H,11-12,15-17H2,1-4H3,(H,34,37)/t18-/m0/s1
InChIKeyIAICSRKZVDRUMC-SFHVURJKSA-N
MW607.66 g/mol
LogP4.74
Rot. Bonds9

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

N-(3-methoxyphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 134393688) has the molecular formula C28H32F3N5O5S and a molecular weight of 607.66 g/mol. Its IUPAC name is N-(3-methoxyphenyl)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-(3-methoxyphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID134393688
Molecular FormulaC28H32F3N5O5S
Molecular Weight607.66 g/mol
Exact Mass607.21
IUPAC NameN-(3-methoxyphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCOc1cccc(S(=O)(=O)NC(=O)c2ccc(-n3ccc(OCC4(C(F)(F)F)CC4)n3)nc2N2C[C@@H](C)CC2(C)C)c1
InChIInChI=1S/C28H32F3N5O5S/c1-18-15-26(2,3)35(16-18)24-21(25(37)34-42(38,39)20-7-5-6-19(14-20)40-4)8-9-22(32-24)36-13-10-23(33-36)41-17-27(11-12-27)28(29,30)31/h5-10,13-14,18H,11-12,15-17H2,1-4H3,(H,34,37)/t18-/m0/s1
InChIKeyIAICSRKZVDRUMC-SFHVURJKSA-N
XLogP4.74
TPSA115.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500607.66
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)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-(3-methoxyphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 134393688) is N-(3-methoxyphenyl)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-(3-methoxyphenyl)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-(3-methoxyphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is COc1cccc(S(=O)(=O)NC(=O)c2ccc(-n3ccc(OCC4(C(F)(F)F)CC4)n3)nc2N2C[C@@H](C)CC2(C)C)c1.
What is the InChIKey of N-(3-methoxyphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is IAICSRKZVDRUMC-SFHVURJKSA-N. The full InChI is InChI=1S/C28H32F3N5O5S/c1-18-15-26(2,3)35(16-18)24-21(25(37)34-42(38,39)20-7-5-6-19(14-20)40-4)8-9-22(32-24)36-13-10-23(33-36)41-17-27(11-12-27)28(29,30)31/h5-10,13-14,18H,11-12,15-17H2,1-4H3,(H,34,37)/t18-/m0/s1.
What are the key properties of N-(3-methoxyphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
N-(3-methoxyphenyl)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 607.66 g/mol, XLogP of 4.74, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)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 134393688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).