4-[[1-(2,2-difluoropropyl)piperidin-4-yl]sulfamoyl]-3-fluoro-1-methyl-N-(2-methyl-4-pyridinyl)pyrrole-2-carboxamide

C20H26F3N5O3S — CID 144898807

IUPAC4-[[1-(2,2-difluoropropyl)piperidin-4-yl]sulfamoyl]-3-fluoro-1-methyl-N-(2-methyl-4-pyridinyl)pyrrole-2-carboxamide
SMILESCc1cc(NC(=O)c2c(F)c(S(=O)(=O)NC3CCN(CC(C)(F)F)CC3)cn2C)ccn1
InChIInChI=1S/C20H26F3N5O3S/c1-13-10-15(4-7-24-13)25-19(29)18-17(21)16(11-27(18)3)32(30,31)26-14-5-8-28(9-6-14)12-20(2,22)23/h4,7,10-11,14,26H,5-6,8-9,12H2,1-3H3,(H,24,25,29)
InChIKeyAMEQCDICDDZMKD-UHFFFAOYSA-N
MW473.52 g/mol
LogP2.52
Rot. Bonds7

About 4-[[1-(2,2-difluoropropyl)piperidin-4-yl]sulfamoyl]-3-fluoro-1-methyl-N-(2-methyl-4-pyridinyl)pyrrole-2-carboxamide

4-[[1-(2,2-difluoropropyl)piperidin-4-yl]sulfamoyl]-3-fluoro-1-methyl-N-(2-methyl-4-pyridinyl)pyrrole-2-carboxamide (PubChem CID 144898807) has the molecular formula C20H26F3N5O3S and a molecular weight of 473.52 g/mol. Its IUPAC name is 4-[[1-(2,2-difluoropropyl)piperidin-4-yl]sulfamoyl]-3-fluoro-1-methyl-N-(2-methyl-4-pyridinyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[[1-(2,2-difluoropropyl)piperidin-4-yl]sulfamoyl]-3-fluoro-1-methyl-N-(2-methyl-4-pyridinyl)pyrrole-2-carboxamide
PubChem CID144898807
Molecular FormulaC20H26F3N5O3S
Molecular Weight473.52 g/mol
Exact Mass473.17
IUPAC Name4-[[1-(2,2-difluoropropyl)piperidin-4-yl]sulfamoyl]-3-fluoro-1-methyl-N-(2-methyl-4-pyridinyl)pyrrole-2-carboxamide
SMILESCc1cc(NC(=O)c2c(F)c(S(=O)(=O)NC3CCN(CC(C)(F)F)CC3)cn2C)ccn1
InChIInChI=1S/C20H26F3N5O3S/c1-13-10-15(4-7-24-13)25-19(29)18-17(21)16(11-27(18)3)32(30,31)26-14-5-8-28(9-6-14)12-20(2,22)23/h4,7,10-11,14,26H,5-6,8-9,12H2,1-3H3,(H,24,25,29)
InChIKeyAMEQCDICDDZMKD-UHFFFAOYSA-N
XLogP2.52
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.52
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-1-methyl-4-(propan-2-ylsulfamoyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrole-2-carboxamide
CID 118295593
3-fluoro-N-(2-fluoro-4-pyridinyl)-1-methyl-4-[[1-(trifluoromethyl)cyclobutyl]sulfamoyl]pyrrole-2-carboxamide
CID 118302186
N-(2-chloro-4-pyridinyl)-3-fluoro-1-methyl-4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]pyrrole-2-carboxamide
CID 118302169
4-(butan-2-ylsulfamoyl)-N-(2-chloro-4-pyridinyl)-3-fluoro-1-methylpyrrole-2-carboxamide
CID 135359271
N-(3,4-difluorophenyl)-3-fluoro-4-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 146336930
3-fluoro-4-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]-1-methyl-N-(3,4,5-trifluorophenyl)pyrrole-2-carboxamide
CID 146336996
3-fluoro-4-[[(1R,2S)-2-(hydroxymethyl)cyclopentyl]sulfamoyl]-1-methyl-N-(3,4,5-trifluorophenyl)pyrrole-2-carboxamide
CID 146336997
N-(3,4-difluorophenyl)-4-[[(4R)-1-[2-(ethylamino)-2-oxoacetyl]-3,3-difluoropiperidin-4-yl]sulfamoyl]-3-fluoro-1-methylpyrrole-2-carboxamide
CID 163201915
(3R,4R)-3-[[4-fluoro-5-[(4-fluoro-3-methylphenyl)carbamoyl]-1-methylpyrrol-3-yl]sulfonylamino]-4-(sulfanylmethyl)pyrrolidine-1-carboxylic acid
CID 155315594
4-[[(2R)-3,3-difluorobutan-2-yl]sulfamoyl]-N-[2-(difluoromethyl)-6-methyl-4-pyridinyl]-3-fluoro-1-methylpyrrole-2-carboxamide
CID 118302422
3-chloro-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-methyl-4-(1,1,1-trifluoropropan-2-ylsulfamoyl)pyrrole-2-carboxamide
CID 123270381
N-(2-bromo-4-pyridinyl)-3-chloro-4-[[(2R)-3,3-difluorobutan-2-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 118302048

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2,2-difluoropropyl)piperidin-4-yl]sulfamoyl]-3-fluoro-1-methyl-N-(2-methyl-4-pyridinyl)pyrrole-2-carboxamide?
The IUPAC name of 4-[[1-(2,2-difluoropropyl)piperidin-4-yl]sulfamoyl]-3-fluoro-1-methyl-N-(2-methyl-4-pyridinyl)pyrrole-2-carboxamide (CID 144898807) is 4-[[1-(2,2-difluoropropyl)piperidin-4-yl]sulfamoyl]-3-fluoro-1-methyl-N-(2-methyl-4-pyridinyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-[[1-(2,2-difluoropropyl)piperidin-4-yl]sulfamoyl]-3-fluoro-1-methyl-N-(2-methyl-4-pyridinyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-[[1-(2,2-difluoropropyl)piperidin-4-yl]sulfamoyl]-3-fluoro-1-methyl-N-(2-methyl-4-pyridinyl)pyrrole-2-carboxamide is Cc1cc(NC(=O)c2c(F)c(S(=O)(=O)NC3CCN(CC(C)(F)F)CC3)cn2C)ccn1.
What is the InChIKey of 4-[[1-(2,2-difluoropropyl)piperidin-4-yl]sulfamoyl]-3-fluoro-1-methyl-N-(2-methyl-4-pyridinyl)pyrrole-2-carboxamide?
The InChIKey is AMEQCDICDDZMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N5O3S/c1-13-10-15(4-7-24-13)25-19(29)18-17(21)16(11-27(18)3)32(30,31)26-14-5-8-28(9-6-14)12-20(2,22)23/h4,7,10-11,14,26H,5-6,8-9,12H2,1-3H3,(H,24,25,29).
What are the key properties of 4-[[1-(2,2-difluoropropyl)piperidin-4-yl]sulfamoyl]-3-fluoro-1-methyl-N-(2-methyl-4-pyridinyl)pyrrole-2-carboxamide?
4-[[1-(2,2-difluoropropyl)piperidin-4-yl]sulfamoyl]-3-fluoro-1-methyl-N-(2-methyl-4-pyridinyl)pyrrole-2-carboxamide has a molecular weight of 473.52 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2,2-difluoropropyl)piperidin-4-yl]sulfamoyl]-3-fluoro-1-methyl-N-(2-methyl-4-pyridinyl)pyrrole-2-carboxamide is sourced from PubChem (CID 144898807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).