tert-butyl 4-[[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]methylamino]piperidine-1-carboxylate

C24H33N5O4S — CID 66894255

IUPACtert-butyl 4-[[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]methylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NCc2cc(N3CCc4cc(S(C)(=O)=O)ccc43)ncn2)CC1
InChIInChI=1S/C24H33N5O4S/c1-24(2,3)33-23(30)28-10-8-18(9-11-28)25-15-19-14-22(27-16-26-19)29-12-7-17-13-20(34(4,31)32)5-6-21(17)29/h5-6,13-14,16,18,25H,7-12,15H2,1-4H3
InChIKeyCRBSJEUMGYTPQB-UHFFFAOYSA-N
MW487.63 g/mol
LogP3.06
Rot. Bonds5

About tert-butyl 4-[[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]methylamino]piperidine-1-carboxylate

tert-butyl 4-[[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]methylamino]piperidine-1-carboxylate (PubChem CID 66894255) has the molecular formula C24H33N5O4S and a molecular weight of 487.63 g/mol. Its IUPAC name is tert-butyl 4-[[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]methylamino]piperidine-1-carboxylate
PubChem CID66894255
Molecular FormulaC24H33N5O4S
Molecular Weight487.63 g/mol
Exact Mass487.23
IUPAC Nametert-butyl 4-[[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]methylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NCc2cc(N3CCc4cc(S(C)(=O)=O)ccc43)ncn2)CC1
InChIInChI=1S/C24H33N5O4S/c1-24(2,3)33-23(30)28-10-8-18(9-11-28)25-15-19-14-22(27-16-26-19)29-12-7-17-13-20(34(4,31)32)5-6-21(17)29/h5-6,13-14,16,18,25H,7-12,15H2,1-4H3
InChIKeyCRBSJEUMGYTPQB-UHFFFAOYSA-N
XLogP3.06
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.63
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]methylamino]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 3-[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxyazetidine-1-carboxylate
CID 58116590
tert-butyl 4-[[4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)-1,3,5-triazin-2-yl]oxy]piperidine-1-carboxylate
CID 58116596
O-methyl 4-[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidine-1-carbothioate
CID 123564398
cyclopentylmethyl 4-[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 68563988
benzyl 4-[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 68562874
(4-fluorophenyl) 4-[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 68563078
tert-butyl 4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]methylamino]piperidine-1-carboxylate
CID 25101393
tert-butyl 4-(pyrimidin-4-ylmethylamino)azepane-1-carboxylate
CID 107255037
tert-butyl 4-[[6-(2-fluoro-4-methylsulfonylanilino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 11698394
propan-2-yl 4-[6-[5-(methylsulfamoyl)-2,3-dihydroindol-1-yl]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 68561417
1-[6-(azetidin-3-yloxy)pyrimidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole
CID 90825088
tert-butyl (3S)-3-[(5-amino-2-pyridinyl)methylamino]pyrrolidine-1-carboxylate
CID 66738148

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]methylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]methylamino]piperidine-1-carboxylate (CID 66894255) is tert-butyl 4-[[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]methylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]methylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]methylamino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NCc2cc(N3CCc4cc(S(C)(=O)=O)ccc43)ncn2)CC1.
What is the InChIKey of tert-butyl 4-[[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]methylamino]piperidine-1-carboxylate?
The InChIKey is CRBSJEUMGYTPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O4S/c1-24(2,3)33-23(30)28-10-8-18(9-11-28)25-15-19-14-22(27-16-26-19)29-12-7-17-13-20(34(4,31)32)5-6-21(17)29/h5-6,13-14,16,18,25H,7-12,15H2,1-4H3.
What are the key properties of tert-butyl 4-[[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]methylamino]piperidine-1-carboxylate?
tert-butyl 4-[[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]methylamino]piperidine-1-carboxylate has a molecular weight of 487.63 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 66894255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).