4-[[6-[(3S)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C22H28FN5O3S — CID 153427267

IUPAC4-[[6-[(3S)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2nccc(S(=O)(=O)c3cccc(N4CC[C@H](F)C4)n3)c2C(N)=O)C(C)(C)C1
InChIInChI=1S/C22H28FN5O3S/c1-14-11-22(2,3)28(12-14)21-19(20(24)29)16(7-9-25-21)32(30,31)18-6-4-5-17(26-18)27-10-8-15(23)13-27/h4-7,9,14-15H,8,10-13H2,1-3H3,(H2,24,29)/t14?,15-/m0/s1
InChIKeyFMXVJRAKMWHBSJ-LOACHALJSA-N
MW461.56 g/mol
LogP2.58
Rot. Bonds5

About 4-[[6-[(3S)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

4-[[6-[(3S)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 153427267) has the molecular formula C22H28FN5O3S and a molecular weight of 461.56 g/mol. Its IUPAC name is 4-[[6-[(3S)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[6-[(3S)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID153427267
Molecular FormulaC22H28FN5O3S
Molecular Weight461.56 g/mol
Exact Mass461.19
IUPAC Name4-[[6-[(3S)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2nccc(S(=O)(=O)c3cccc(N4CC[C@H](F)C4)n3)c2C(N)=O)C(C)(C)C1
InChIInChI=1S/C22H28FN5O3S/c1-14-11-22(2,3)28(12-14)21-19(20(24)29)16(7-9-25-21)32(30,31)18-6-4-5-17(26-18)27-10-8-15(23)13-27/h4-7,9,14-15H,8,10-13H2,1-3H3,(H2,24,29)/t14?,15-/m0/s1
InChIKeyFMXVJRAKMWHBSJ-LOACHALJSA-N
XLogP2.58
TPSA109.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[6-[(3S)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide with MolForge

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Related Compounds

US11377438, Example 128
CID 146525669
US11377438, Example 47
CID 146525676
US11377438, Example 152
CID 146525680
US11377438, Example 140
CID 146525685
US11377438, Example 126
CID 146525690
US11377438, Example 151
CID 146525691
US11377438, Example 56
CID 146525698
US11377438, Example 149
CID 146525720
US11377438, Example 129
CID 146525803
US11377438, Example 148
CID 146525870
US11377438, Example 52
CID 146525888
US11377438, Example 198
CID 146525896

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[(3S)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of 4-[[6-[(3S)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 153427267) is 4-[[6-[(3S)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-[[6-[(3S)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-[[6-[(3S)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CN(c2nccc(S(=O)(=O)c3cccc(N4CC[C@H](F)C4)n3)c2C(N)=O)C(C)(C)C1.
What is the InChIKey of 4-[[6-[(3S)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is FMXVJRAKMWHBSJ-LOACHALJSA-N. The full InChI is InChI=1S/C22H28FN5O3S/c1-14-11-22(2,3)28(12-14)21-19(20(24)29)16(7-9-25-21)32(30,31)18-6-4-5-17(26-18)27-10-8-15(23)13-27/h4-7,9,14-15H,8,10-13H2,1-3H3,(H2,24,29)/t14?,15-/m0/s1.
What are the key properties of 4-[[6-[(3S)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
4-[[6-[(3S)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 461.56 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[(3S)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 153427267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).