tert-butyl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate

C24H32N4O6S — CID 58487756

IUPACtert-butyl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCc1nc(S(=O)(=O)C2CC2)ccc1Oc1ncnc(OC2CCN(C(=O)OC(C)(C)C)CC2)c1C
InChIInChI=1S/C24H32N4O6S/c1-15-21(32-17-10-12-28(13-11-17)23(29)34-24(3,4)5)25-14-26-22(15)33-19-8-9-20(27-16(19)2)35(30,31)18-6-7-18/h8-9,14,17-18H,6-7,10-13H2,1-5H3
InChIKeyKMGQGDFFHKCUDC-UHFFFAOYSA-N
MW504.61 g/mol
LogP4.00
Rot. Bonds6

About tert-butyl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate

tert-butyl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate (PubChem CID 58487756) has the molecular formula C24H32N4O6S and a molecular weight of 504.61 g/mol. Its IUPAC name is tert-butyl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
PubChem CID58487756
Molecular FormulaC24H32N4O6S
Molecular Weight504.61 g/mol
Exact Mass504.20
IUPAC Nametert-butyl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCc1nc(S(=O)(=O)C2CC2)ccc1Oc1ncnc(OC2CCN(C(=O)OC(C)(C)C)CC2)c1C
InChIInChI=1S/C24H32N4O6S/c1-15-21(32-17-10-12-28(13-11-17)23(29)34-24(3,4)5)25-14-26-22(15)33-19-8-9-20(27-16(19)2)35(30,31)18-6-7-18/h8-9,14,17-18H,6-7,10-13H2,1-5H3
InChIKeyKMGQGDFFHKCUDC-UHFFFAOYSA-N
XLogP4.00
TPSA120.81 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.61
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze tert-butyl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate (CID 58487756) is tert-butyl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate is Cc1nc(S(=O)(=O)C2CC2)ccc1Oc1ncnc(OC2CCN(C(=O)OC(C)(C)C)CC2)c1C.
What is the InChIKey of tert-butyl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The InChIKey is KMGQGDFFHKCUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O6S/c1-15-21(32-17-10-12-28(13-11-17)23(29)34-24(3,4)5)25-14-26-22(15)33-19-8-9-20(27-16(19)2)35(30,31)18-6-7-18/h8-9,14,17-18H,6-7,10-13H2,1-5H3.
What are the key properties of tert-butyl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
tert-butyl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate has a molecular weight of 504.61 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 58487756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).