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

C23H20F2N6O4S — CID 154022304

IUPAC(1-methylpyrazol-3-yl) N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]-N-methylcarbamate
SMILESCc1ncc(-c2ccnc(N(C)C(=O)Oc3ccn(C)n3)c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C23H20F2N6O4S/c1-14-19(29-36(33,34)20-5-4-17(24)12-18(20)25)10-16(13-27-14)15-6-8-26-21(11-15)31(3)23(32)35-22-7-9-30(2)28-22/h4-13,29H,1-3H3
InChIKeyXIONCNXLWYMTDK-UHFFFAOYSA-N
MW514.51 g/mol
LogP3.90
Rot. Bonds6

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

(1-methylpyrazol-3-yl) N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]-N-methylcarbamate (PubChem CID 154022304) has the molecular formula C23H20F2N6O4S and a molecular weight of 514.51 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl) N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]-N-methylcarbamate.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl) N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]-N-methylcarbamate
PubChem CID154022304
Molecular FormulaC23H20F2N6O4S
Molecular Weight514.51 g/mol
Exact Mass514.12
IUPAC Name(1-methylpyrazol-3-yl) N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]-N-methylcarbamate
SMILESCc1ncc(-c2ccnc(N(C)C(=O)Oc3ccn(C)n3)c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C23H20F2N6O4S/c1-14-19(29-36(33,34)20-5-4-17(24)12-18(20)25)10-16(13-27-14)15-6-8-26-21(11-15)31(3)23(32)35-22-7-9-30(2)28-22/h4-13,29H,1-3H3
InChIKeyXIONCNXLWYMTDK-UHFFFAOYSA-N
XLogP3.90
TPSA119.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.51
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl) N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]-N-methylcarbamate?
The IUPAC name of (1-methylpyrazol-3-yl) N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]-N-methylcarbamate (CID 154022304) is (1-methylpyrazol-3-yl) N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]-N-methylcarbamate.
What is the SMILES notation for (1-methylpyrazol-3-yl) N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]-N-methylcarbamate?
The canonical SMILES for (1-methylpyrazol-3-yl) N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]-N-methylcarbamate is Cc1ncc(-c2ccnc(N(C)C(=O)Oc3ccn(C)n3)c2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of (1-methylpyrazol-3-yl) N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]-N-methylcarbamate?
The InChIKey is XIONCNXLWYMTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N6O4S/c1-14-19(29-36(33,34)20-5-4-17(24)12-18(20)25)10-16(13-27-14)15-6-8-26-21(11-15)31(3)23(32)35-22-7-9-30(2)28-22/h4-13,29H,1-3H3.
What are the key properties of (1-methylpyrazol-3-yl) N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]-N-methylcarbamate?
(1-methylpyrazol-3-yl) N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]-N-methylcarbamate has a molecular weight of 514.51 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl) N-[4-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]-N-methylcarbamate is sourced from PubChem (CID 154022304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).