[5-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]-(4-methylsulfonylpiperazin-1-yl)methanone

C23H26N6O4S — CID 25211540

IUPAC[5-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCOc1ccc(-c2cnc(Nc3cnc(C)c(C(=O)N4CCN(S(C)(=O)=O)CC4)c3)nc2)cc1
InChIInChI=1S/C23H26N6O4S/c1-16-21(22(30)28-8-10-29(11-9-28)34(3,31)32)12-19(15-24-16)27-23-25-13-18(14-26-23)17-4-6-20(33-2)7-5-17/h4-7,12-15H,8-11H2,1-3H3,(H,25,26,27)
InChIKeyOWDKKRRPGYFZCI-UHFFFAOYSA-N
MW482.57 g/mol
LogP2.32
Rot. Bonds6

About [5-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]-(4-methylsulfonylpiperazin-1-yl)methanone

[5-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]-(4-methylsulfonylpiperazin-1-yl)methanone (PubChem CID 25211540) has the molecular formula C23H26N6O4S and a molecular weight of 482.57 g/mol. Its IUPAC name is [5-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]-(4-methylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]-(4-methylsulfonylpiperazin-1-yl)methanone
PubChem CID25211540
Molecular FormulaC23H26N6O4S
Molecular Weight482.57 g/mol
Exact Mass482.17
IUPAC Name[5-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCOc1ccc(-c2cnc(Nc3cnc(C)c(C(=O)N4CCN(S(C)(=O)=O)CC4)c3)nc2)cc1
InChIInChI=1S/C23H26N6O4S/c1-16-21(22(30)28-8-10-29(11-9-28)34(3,31)32)12-19(15-24-16)27-23-25-13-18(14-26-23)17-4-6-20(33-2)7-5-17/h4-7,12-15H,8-11H2,1-3H3,(H,25,26,27)
InChIKeyOWDKKRRPGYFZCI-UHFFFAOYSA-N
XLogP2.32
TPSA117.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.57
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [5-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]-(4-methylsulfonylpiperazin-1-yl)methanone with MolForge

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Related Compounds

4-[5-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]pyridine-2-carbonyl]piperazine-1-carboxylic acid
CID 67365508
(2-anilinopyrimidin-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 74240836
[2-(4-methoxyanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249327
[4-[4-(1-isocyanocyclopropyl)phenyl]-7-methoxyquinolin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 157094137
(2-anilinopyrimidin-5-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 74232162
2-[4-(4-methoxyphenyl)phenyl]-N-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 145307970
2-[4-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]-1,2-di(piperidin-1-yl)ethanone
CID 69328589
[6-methyl-4-(methylamino)-3-pyridinyl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 81237800
5-chloro-4-N-(3-methoxyphenyl)-2-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 118709980
[2-(4-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 109250762
[2-(4-methoxyanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261137
(2,5-difluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 110804484

Frequently Asked Questions

What is the IUPAC name of [5-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]-(4-methylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of [5-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]-(4-methylsulfonylpiperazin-1-yl)methanone (CID 25211540) is [5-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]-(4-methylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]-(4-methylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for [5-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]-(4-methylsulfonylpiperazin-1-yl)methanone is COc1ccc(-c2cnc(Nc3cnc(C)c(C(=O)N4CCN(S(C)(=O)=O)CC4)c3)nc2)cc1.
What is the InChIKey of [5-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]-(4-methylsulfonylpiperazin-1-yl)methanone?
The InChIKey is OWDKKRRPGYFZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O4S/c1-16-21(22(30)28-8-10-29(11-9-28)34(3,31)32)12-19(15-24-16)27-23-25-13-18(14-26-23)17-4-6-20(33-2)7-5-17/h4-7,12-15H,8-11H2,1-3H3,(H,25,26,27).
What are the key properties of [5-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]-(4-methylsulfonylpiperazin-1-yl)methanone?
[5-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]-(4-methylsulfonylpiperazin-1-yl)methanone has a molecular weight of 482.57 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2-methyl-3-pyridinyl]-(4-methylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 25211540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).