4-[6-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]-5-propoxypyrimidin-4-yl]oxypiperidine-1-carboxylic acid

C20H27N5O6S — CID 141148279

IUPAC4-[6-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]-5-propoxypyrimidin-4-yl]oxypiperidine-1-carboxylic acid
SMILESCCCOc1c(Nc2ccc(S(C)(=O)=O)nc2C)ncnc1OC1CCN(C(=O)O)CC1
InChIInChI=1S/C20H27N5O6S/c1-4-11-30-17-18(24-15-5-6-16(23-13(15)2)32(3,28)29)21-12-22-19(17)31-14-7-9-25(10-8-14)20(26)27/h5-6,12,14H,4,7-11H2,1-3H3,(H,26,27)(H,21,22,24)
InChIKeyAWEWYTJHPWTDSC-UHFFFAOYSA-N
MW465.53 g/mol
LogP2.64
Rot. Bonds8

About 4-[6-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]-5-propoxypyrimidin-4-yl]oxypiperidine-1-carboxylic acid

4-[6-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]-5-propoxypyrimidin-4-yl]oxypiperidine-1-carboxylic acid (PubChem CID 141148279) has the molecular formula C20H27N5O6S and a molecular weight of 465.53 g/mol. Its IUPAC name is 4-[6-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]-5-propoxypyrimidin-4-yl]oxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[6-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]-5-propoxypyrimidin-4-yl]oxypiperidine-1-carboxylic acid
PubChem CID141148279
Molecular FormulaC20H27N5O6S
Molecular Weight465.53 g/mol
Exact Mass465.17
IUPAC Name4-[6-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]-5-propoxypyrimidin-4-yl]oxypiperidine-1-carboxylic acid
SMILESCCCOc1c(Nc2ccc(S(C)(=O)=O)nc2C)ncnc1OC1CCN(C(=O)O)CC1
InChIInChI=1S/C20H27N5O6S/c1-4-11-30-17-18(24-15-5-6-16(23-13(15)2)32(3,28)29)21-12-22-19(17)31-14-7-9-25(10-8-14)20(26)27/h5-6,12,14H,4,7-11H2,1-3H3,(H,26,27)(H,21,22,24)
InChIKeyAWEWYTJHPWTDSC-UHFFFAOYSA-N
XLogP2.64
TPSA143.84 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[6-[(2,4-dimethyl-6-methylsulfonyl-3-pyridinyl)amino]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 142786808
propan-2-yl 4-[5-methoxy-6-[(2-methyl-6-propylsulfonyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11547948
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-[6-(2-fluoro-4-propoxyanilino)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 142779490
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
5-methoxy-N-(2-methyl-6-propylsulfonyl-3-pyridinyl)-6-piperidin-4-yloxypyrimidin-4-amine;2-methylpropanoic acid
CID 158189450
propan-2-yl 4-[5-methoxy-6-[[6-(2-methoxyethylamino)-2-methyl-3-pyridinyl]amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11503815
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-[5-methoxy-6-[(2-methyl-6-propylsulfanyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11648576
butyl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 46700959

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]-5-propoxypyrimidin-4-yl]oxypiperidine-1-carboxylic acid?
The IUPAC name of 4-[6-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]-5-propoxypyrimidin-4-yl]oxypiperidine-1-carboxylic acid (CID 141148279) is 4-[6-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]-5-propoxypyrimidin-4-yl]oxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-[6-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]-5-propoxypyrimidin-4-yl]oxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-[6-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]-5-propoxypyrimidin-4-yl]oxypiperidine-1-carboxylic acid is CCCOc1c(Nc2ccc(S(C)(=O)=O)nc2C)ncnc1OC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[6-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]-5-propoxypyrimidin-4-yl]oxypiperidine-1-carboxylic acid?
The InChIKey is AWEWYTJHPWTDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O6S/c1-4-11-30-17-18(24-15-5-6-16(23-13(15)2)32(3,28)29)21-12-22-19(17)31-14-7-9-25(10-8-14)20(26)27/h5-6,12,14H,4,7-11H2,1-3H3,(H,26,27)(H,21,22,24).
What are the key properties of 4-[6-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]-5-propoxypyrimidin-4-yl]oxypiperidine-1-carboxylic acid?
4-[6-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]-5-propoxypyrimidin-4-yl]oxypiperidine-1-carboxylic acid has a molecular weight of 465.53 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]-5-propoxypyrimidin-4-yl]oxypiperidine-1-carboxylic acid is sourced from PubChem (CID 141148279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).