N-(1,5-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C26H34F3N7O4S — CID 134587291

IUPACN-(1,5-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCc1c(S(=O)(=O)NC(=O)c2ccc(-n3ccc(OCC(C)(C)C(F)(F)F)n3)nc2N2C[C@@H](C)CC2(C)C)cnn1C
InChIInChI=1S/C26H34F3N7O4S/c1-16-12-25(5,6)35(14-16)22-18(23(37)33-41(38,39)19-13-30-34(7)17(19)2)8-9-20(31-22)36-11-10-21(32-36)40-15-24(3,4)26(27,28)29/h8-11,13,16H,12,14-15H2,1-7H3,(H,33,37)/t16-/m0/s1
InChIKeyNDGAACSLEZLDSF-INIZCTEOSA-N
MW597.66 g/mol
LogP4.02
Rot. Bonds8

About N-(1,5-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

N-(1,5-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 134587291) has the molecular formula C26H34F3N7O4S and a molecular weight of 597.66 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID134587291
Molecular FormulaC26H34F3N7O4S
Molecular Weight597.66 g/mol
Exact Mass597.23
IUPAC NameN-(1,5-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCc1c(S(=O)(=O)NC(=O)c2ccc(-n3ccc(OCC(C)(C)C(F)(F)F)n3)nc2N2C[C@@H](C)CC2(C)C)cnn1C
InChIInChI=1S/C26H34F3N7O4S/c1-16-12-25(5,6)35(14-16)22-18(23(37)33-41(38,39)19-13-30-34(7)17(19)2)8-9-20(31-22)36-11-10-21(32-36)40-15-24(3,4)26(27,28)29/h8-11,13,16H,12,14-15H2,1-7H3,(H,33,37)/t16-/m0/s1
InChIKeyNDGAACSLEZLDSF-INIZCTEOSA-N
XLogP4.02
TPSA124.24 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500597.66
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-(1,5-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 134587291) is N-(1,5-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(1,5-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(1,5-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is Cc1c(S(=O)(=O)NC(=O)c2ccc(-n3ccc(OCC(C)(C)C(F)(F)F)n3)nc2N2C[C@@H](C)CC2(C)C)cnn1C.
What is the InChIKey of N-(1,5-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is NDGAACSLEZLDSF-INIZCTEOSA-N. The full InChI is InChI=1S/C26H34F3N7O4S/c1-16-12-25(5,6)35(14-16)22-18(23(37)33-41(38,39)19-13-30-34(7)17(19)2)8-9-20(31-22)36-11-10-21(32-36)40-15-24(3,4)26(27,28)29/h8-11,13,16H,12,14-15H2,1-7H3,(H,33,37)/t16-/m0/s1.
What are the key properties of N-(1,5-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
N-(1,5-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 597.66 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 134587291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).