(1-methylpyrazol-3-yl)methyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate

C23H20F2N6O4S — CID 118249430

IUPAC(1-methylpyrazol-3-yl)methyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate
SMILESCc1ncc(-c2ccnc(NC(=O)OCc3ccn(C)n3)c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C23H20F2N6O4S/c1-14-20(30-36(33,34)21-4-3-17(24)11-19(21)25)9-16(12-27-14)15-5-7-26-22(10-15)28-23(32)35-13-18-6-8-31(2)29-18/h3-12,30H,13H2,1-2H3,(H,26,28,32)
InChIKeyHMCZVRREXPWNNL-UHFFFAOYSA-N
MW514.51 g/mol
LogP4.01
Rot. Bonds7

About (1-methylpyrazol-3-yl)methyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate

(1-methylpyrazol-3-yl)methyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate (PubChem CID 118249430) has the molecular formula C23H20F2N6O4S and a molecular weight of 514.51 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)methyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)methyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate
PubChem CID118249430
Molecular FormulaC23H20F2N6O4S
Molecular Weight514.51 g/mol
Exact Mass514.12
IUPAC Name(1-methylpyrazol-3-yl)methyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate
SMILESCc1ncc(-c2ccnc(NC(=O)OCc3ccn(C)n3)c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C23H20F2N6O4S/c1-14-20(30-36(33,34)21-4-3-17(24)11-19(21)25)9-16(12-27-14)15-5-7-26-22(10-15)28-23(32)35-13-18-6-8-31(2)29-18/h3-12,30H,13H2,1-2H3,(H,26,28,32)
InChIKeyHMCZVRREXPWNNL-UHFFFAOYSA-N
XLogP4.01
TPSA128.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.51
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate
CID 118249286
N-[4-[6-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylamino]pyridin-3-yl]pyridin-2-yl]acetamide
CID 118249401
N-[4-[4-[(2,4-difluorophenyl)sulfonylamino]pyrazolo[1,5-a]pyridin-6-yl]-2-pyridinyl]acetamide
CID 118293488
N-[4-[4,6-dimethyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylamino]pyridin-3-yl]pyridin-2-yl]acetamide
CID 118302659
ethyl N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2,4-difluorophenyl]-N-(2,5-difluorophenyl)sulfonylcarbamate
CID 53341517
propan-2-yl N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2,4-difluorophenyl]-N-(2,5-difluorophenyl)sulfonylcarbamate
CID 53341519
propyl N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2,4-difluorophenyl]-N-(2,5-difluorophenyl)sulfonylcarbamate
CID 53341559
(1-methylpyrazol-3-yl)methyl N-[2-[1-[5-(4-fluorophenyl)-2-pyridinyl]piperidin-4-yl]ethyl]carbamate
CID 66660948
(1-methylpyrazol-3-yl) N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]-N-methylcarbamate
CID 154022304
[(1R)-1-(2,5-difluoro-4-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
CID 156384833
1-(3-fluoro-4-pyridinyl)ethyl N-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
CID 156384850
[(1R)-1-(5-fluoro-2-methyl-4-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
CID 159815693

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)methyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate?
The IUPAC name of (1-methylpyrazol-3-yl)methyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate (CID 118249430) is (1-methylpyrazol-3-yl)methyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate.
What is the SMILES notation for (1-methylpyrazol-3-yl)methyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate?
The canonical SMILES for (1-methylpyrazol-3-yl)methyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate is Cc1ncc(-c2ccnc(NC(=O)OCc3ccn(C)n3)c2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of (1-methylpyrazol-3-yl)methyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate?
The InChIKey is HMCZVRREXPWNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N6O4S/c1-14-20(30-36(33,34)21-4-3-17(24)11-19(21)25)9-16(12-27-14)15-5-7-26-22(10-15)28-23(32)35-13-18-6-8-31(2)29-18/h3-12,30H,13H2,1-2H3,(H,26,28,32).
What are the key properties of (1-methylpyrazol-3-yl)methyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate?
(1-methylpyrazol-3-yl)methyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate has a molecular weight of 514.51 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)methyl N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 118249430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).