4-[6-[(2,4-dimethyl-6-methylsulfonyl-3-pyridinyl)amino]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylic acid

C19H25N5O6S — CID 142786808

IUPAC4-[6-[(2,4-dimethyl-6-methylsulfonyl-3-pyridinyl)amino]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylic acid
SMILESCOc1c(Nc2c(C)cc(S(C)(=O)=O)nc2C)ncnc1OC1CCN(C(=O)O)CC1
InChIInChI=1S/C19H25N5O6S/c1-11-9-14(31(4,27)28)22-12(2)15(11)23-17-16(29-3)18(21-10-20-17)30-13-5-7-24(8-6-13)19(25)26/h9-10,13H,5-8H2,1-4H3,(H,25,26)(H,20,21,23)
InChIKeyYPBIWPGXOBZENH-UHFFFAOYSA-N
MW451.51 g/mol
LogP2.17
Rot. Bonds6

About 4-[6-[(2,4-dimethyl-6-methylsulfonyl-3-pyridinyl)amino]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylic acid

4-[6-[(2,4-dimethyl-6-methylsulfonyl-3-pyridinyl)amino]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylic acid (PubChem CID 142786808) has the molecular formula C19H25N5O6S and a molecular weight of 451.51 g/mol. Its IUPAC name is 4-[6-[(2,4-dimethyl-6-methylsulfonyl-3-pyridinyl)amino]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[6-[(2,4-dimethyl-6-methylsulfonyl-3-pyridinyl)amino]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylic acid
PubChem CID142786808
Molecular FormulaC19H25N5O6S
Molecular Weight451.51 g/mol
Exact Mass451.15
IUPAC Name4-[6-[(2,4-dimethyl-6-methylsulfonyl-3-pyridinyl)amino]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylic acid
SMILESCOc1c(Nc2c(C)cc(S(C)(=O)=O)nc2C)ncnc1OC1CCN(C(=O)O)CC1
InChIInChI=1S/C19H25N5O6S/c1-11-9-14(31(4,27)28)22-12(2)15(11)23-17-16(29-3)18(21-10-20-17)30-13-5-7-24(8-6-13)19(25)26/h9-10,13H,5-8H2,1-4H3,(H,25,26)(H,20,21,23)
InChIKeyYPBIWPGXOBZENH-UHFFFAOYSA-N
XLogP2.17
TPSA143.84 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.51
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[6-[(2,4-dimethyl-6-methylsulfonyl-3-pyridinyl)amino]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

4-[6-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]-5-propoxypyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 141148279
propan-2-yl 4-[5-methoxy-6-[(2-methyl-6-propan-2-ylsulfonyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11613117
4-(5-methoxy-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylic acid
CID 135219408
propan-2-yl 4-[5-methoxy-6-[(2-methyl-6-propylsulfonyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11547948
5-methoxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)-6-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxypyrimidin-4-amine;propan-2-yl 4-[6-[[6-(hydroxymethyl)-4-methyl-3-pyridinyl]amino]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 87898232
4-[6-[2-fluoro-4-(2-methoxyethoxy)anilino]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 66896012
propan-2-yl 4-[6-[(6-isocyano-4-methyl-3-pyridinyl)amino]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 58671563
propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 46700963
propan-2-yl 4-[5-methoxy-6-[[2-methoxy-6-(2-methylsulfonylethylamino)-3-pyridinyl]amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11497516
tert-butyl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)amino]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 58487753
4-[6-(2,5-difluoro-4-propoxyanilino)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 142779485
propan-2-yl 4-[5-methoxy-6-[(2-methyl-6-propylsulfanyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11648576

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(2,4-dimethyl-6-methylsulfonyl-3-pyridinyl)amino]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylic acid?
The IUPAC name of 4-[6-[(2,4-dimethyl-6-methylsulfonyl-3-pyridinyl)amino]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylic acid (CID 142786808) is 4-[6-[(2,4-dimethyl-6-methylsulfonyl-3-pyridinyl)amino]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-[6-[(2,4-dimethyl-6-methylsulfonyl-3-pyridinyl)amino]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-[6-[(2,4-dimethyl-6-methylsulfonyl-3-pyridinyl)amino]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylic acid is COc1c(Nc2c(C)cc(S(C)(=O)=O)nc2C)ncnc1OC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[6-[(2,4-dimethyl-6-methylsulfonyl-3-pyridinyl)amino]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylic acid?
The InChIKey is YPBIWPGXOBZENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O6S/c1-11-9-14(31(4,27)28)22-12(2)15(11)23-17-16(29-3)18(21-10-20-17)30-13-5-7-24(8-6-13)19(25)26/h9-10,13H,5-8H2,1-4H3,(H,25,26)(H,20,21,23).
What are the key properties of 4-[6-[(2,4-dimethyl-6-methylsulfonyl-3-pyridinyl)amino]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylic acid?
4-[6-[(2,4-dimethyl-6-methylsulfonyl-3-pyridinyl)amino]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylic acid has a molecular weight of 451.51 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(2,4-dimethyl-6-methylsulfonyl-3-pyridinyl)amino]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylic acid is sourced from PubChem (CID 142786808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).