N-[6-(3-cyanopyrazol-1-yl)-2-[(6-cyclopropyl-2,4-dimethyl-3-pyridinyl)oxy]-3-pyridinyl]methanesulfonamide

C20H20N6O3S — CID 176830664

IUPACN-[6-(3-cyanopyrazol-1-yl)-2-[(6-cyclopropyl-2,4-dimethyl-3-pyridinyl)oxy]-3-pyridinyl]methanesulfonamide
SMILESCc1cc(C2CC2)nc(C)c1Oc1nc(-n2ccc(C#N)n2)ccc1NS(C)(=O)=O
InChIInChI=1S/C20H20N6O3S/c1-12-10-17(14-4-5-14)22-13(2)19(12)29-20-16(25-30(3,27)28)6-7-18(23-20)26-9-8-15(11-21)24-26/h6-10,14,25H,4-5H2,1-3H3
InChIKeyCLVMPUKXPUDEOL-UHFFFAOYSA-N
MW424.49 g/mol
LogP3.19
Rot. Bonds6

About N-[6-(3-cyanopyrazol-1-yl)-2-[(6-cyclopropyl-2,4-dimethyl-3-pyridinyl)oxy]-3-pyridinyl]methanesulfonamide

N-[6-(3-cyanopyrazol-1-yl)-2-[(6-cyclopropyl-2,4-dimethyl-3-pyridinyl)oxy]-3-pyridinyl]methanesulfonamide (PubChem CID 176830664) has the molecular formula C20H20N6O3S and a molecular weight of 424.49 g/mol. Its IUPAC name is N-[6-(3-cyanopyrazol-1-yl)-2-[(6-cyclopropyl-2,4-dimethyl-3-pyridinyl)oxy]-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(3-cyanopyrazol-1-yl)-2-[(6-cyclopropyl-2,4-dimethyl-3-pyridinyl)oxy]-3-pyridinyl]methanesulfonamide
PubChem CID176830664
Molecular FormulaC20H20N6O3S
Molecular Weight424.49 g/mol
Exact Mass424.13
IUPAC NameN-[6-(3-cyanopyrazol-1-yl)-2-[(6-cyclopropyl-2,4-dimethyl-3-pyridinyl)oxy]-3-pyridinyl]methanesulfonamide
SMILESCc1cc(C2CC2)nc(C)c1Oc1nc(-n2ccc(C#N)n2)ccc1NS(C)(=O)=O
InChIInChI=1S/C20H20N6O3S/c1-12-10-17(14-4-5-14)22-13(2)19(12)29-20-16(25-30(3,27)28)6-7-18(23-20)26-9-8-15(11-21)24-26/h6-10,14,25H,4-5H2,1-3H3
InChIKeyCLVMPUKXPUDEOL-UHFFFAOYSA-N
XLogP3.19
TPSA122.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[6-(3-cyanopyrazol-1-yl)-2-[(6-cyclopropyl-2,4-dimethyl-3-pyridinyl)oxy]-3-pyridinyl]methanesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-[6-(5-cyano-3-pyridinyl)-2-[(6-cyclopropyl-2,4-dimethyl-3-pyridinyl)oxy]-3-pyridinyl]cyclobutanesulfonamide
CID 176830628
N-[6-piperazin-1-yl-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]methanesulfonamide
CID 177181366
N-[6-(4-methylimidazol-1-yl)-2-(2,4,6-trimethylphenoxy)-3-pyridinyl]methanesulfonamide
CID 176830881
N-[6-(5-cyclopropyl-3-pyridinyl)-2-(2,4,6-trimethylpyrimidin-5-yl)oxy-3-pyridinyl]methanesulfonamide
CID 176830557
N-[6-(5-cyano-3-pyridinyl)-2-[2-(3,3-difluoroazetidin-1-yl)-4,6-dimethylpyrimidin-5-yl]oxy-3-pyridinyl]methanesulfonamide
CID 176830686
N-[6-(5-chloro-3-pyridinyl)-2-[[2-cyclopropyl-4-methyl-6-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanesulfonamide
CID 176830892
N-[6-(5-cyano-3-pyridinyl)-2-(1,2,5-trimethylimidazol-4-yl)oxy-3-pyridinyl]methanesulfonamide
CID 176830776
N-[6-(5-cyano-3-pyridinyl)-2-[[2,6-dimethyl-5-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanesulfonamide
CID 176830696
1-[3-chloro-6-(3-cyclopropylpyrazol-1-yl)-2-pyridinyl]-N-methylmethanamine
CID 62490733
N-[3-[4-[[5-bromo-4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino]piperidin-1-yl]phenyl]methanesulfonamide
CID 67338943
4-(4-cyano-2,6-dimethylphenoxy)-2-[[1-[4-(methanesulfonamido)phenyl]piperidin-4-yl]amino]pyrimidine-5-carboxamide
CID 170855613
2-(3-cyclopropylpyrazol-1-yl)pyridine-4-carbonitrile
CID 62487092

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-cyanopyrazol-1-yl)-2-[(6-cyclopropyl-2,4-dimethyl-3-pyridinyl)oxy]-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[6-(3-cyanopyrazol-1-yl)-2-[(6-cyclopropyl-2,4-dimethyl-3-pyridinyl)oxy]-3-pyridinyl]methanesulfonamide (CID 176830664) is N-[6-(3-cyanopyrazol-1-yl)-2-[(6-cyclopropyl-2,4-dimethyl-3-pyridinyl)oxy]-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[6-(3-cyanopyrazol-1-yl)-2-[(6-cyclopropyl-2,4-dimethyl-3-pyridinyl)oxy]-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[6-(3-cyanopyrazol-1-yl)-2-[(6-cyclopropyl-2,4-dimethyl-3-pyridinyl)oxy]-3-pyridinyl]methanesulfonamide is Cc1cc(C2CC2)nc(C)c1Oc1nc(-n2ccc(C#N)n2)ccc1NS(C)(=O)=O.
What is the InChIKey of N-[6-(3-cyanopyrazol-1-yl)-2-[(6-cyclopropyl-2,4-dimethyl-3-pyridinyl)oxy]-3-pyridinyl]methanesulfonamide?
The InChIKey is CLVMPUKXPUDEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3S/c1-12-10-17(14-4-5-14)22-13(2)19(12)29-20-16(25-30(3,27)28)6-7-18(23-20)26-9-8-15(11-21)24-26/h6-10,14,25H,4-5H2,1-3H3.
What are the key properties of N-[6-(3-cyanopyrazol-1-yl)-2-[(6-cyclopropyl-2,4-dimethyl-3-pyridinyl)oxy]-3-pyridinyl]methanesulfonamide?
N-[6-(3-cyanopyrazol-1-yl)-2-[(6-cyclopropyl-2,4-dimethyl-3-pyridinyl)oxy]-3-pyridinyl]methanesulfonamide has a molecular weight of 424.49 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-cyanopyrazol-1-yl)-2-[(6-cyclopropyl-2,4-dimethyl-3-pyridinyl)oxy]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 176830664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).