3-[[1-[[(5S)-2-[4-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methyl]-1,3-oxazolidin-2-one

C23H26ClN7O3S — CID 176868853

IUPAC3-[[1-[[(5S)-2-[4-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CC1(Nc2nc(N3CC=C(c4ncc(Cl)cn4)CC3)nc3c2[S@@](=O)CC3)CCC1
InChIInChI=1S/C23H26ClN7O3S/c24-16-12-25-19(26-13-16)15-2-7-30(8-3-15)21-27-17-4-11-35(33)18(17)20(28-21)29-23(5-1-6-23)14-31-9-10-34-22(31)32/h2,12-13H,1,3-11,14H2,(H,27,28,29)/t35-/m0/s1
InChIKeyUQDTWSTUMMAESE-DHUJRADRSA-N
MW516.03 g/mol
LogP2.66
Rot. Bonds6

About 3-[[1-[[(5S)-2-[4-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methyl]-1,3-oxazolidin-2-one

3-[[1-[[(5S)-2-[4-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 176868853) has the molecular formula C23H26ClN7O3S and a molecular weight of 516.03 g/mol. Its IUPAC name is 3-[[1-[[(5S)-2-[4-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[[1-[[(5S)-2-[4-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methyl]-1,3-oxazolidin-2-one
PubChem CID176868853
Molecular FormulaC23H26ClN7O3S
Molecular Weight516.03 g/mol
Exact Mass515.15
IUPAC Name3-[[1-[[(5S)-2-[4-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CC1(Nc2nc(N3CC=C(c4ncc(Cl)cn4)CC3)nc3c2[S@@](=O)CC3)CCC1
InChIInChI=1S/C23H26ClN7O3S/c24-16-12-25-19(26-13-16)15-2-7-30(8-3-15)21-27-17-4-11-35(33)18(17)20(28-21)29-23(5-1-6-23)14-31-9-10-34-22(31)32/h2,12-13H,1,3-11,14H2,(H,27,28,29)/t35-/m0/s1
InChIKeyUQDTWSTUMMAESE-DHUJRADRSA-N
XLogP2.66
TPSA113.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.03
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[[1-[[(5S)-2-[4-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

[1-[[(5R)-2-[4-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopentyl]methyl N-(2,2,2-trichloroacetyl)carbamate
CID 176867286
[1-[[2-[4-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-8-methyl-5-oxo-6,7-dihydropyrimido[5,4-b][1,4]thiazin-4-yl]amino]cyclobutyl]methanol
CID 176868745
methyl N-[[1-[[(5S)-2-[4-(5-chloropyrimidin-2-yl)-2,3,6,7-tetrahydroazepin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methyl]carbamate
CID 176867786
2-[[1-[[(5R)-2-[4-(5-ethynylpyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methyl]guanidine
CID 176866861
[1-[[2-[4-(5-cyclopropylpyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methyl N-methylcarbamate
CID 176868862
tert-butyl N-[[1-[[5-oxo-2-[4-(5-prop-1-ynylpyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methyl]carbamate
CID 176867442
[1-[[(5R)-2-[4-(5-ethynylpyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methyl N-(2,2,2-trichloroacetyl)carbamate
CID 176869277
2-[4-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-fluoro-4-pyridinyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 176867054
[5-[2-[4-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]-5-azaspiro[3.4]octan-8-yl]methanol
CID 176869283
[1-[[(5R)-2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-5-oxo-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methanol
CID 176868918
2-[4-[[(5R)-2-[4-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-fluorophenyl]acetamide
CID 176867580
[1-[[2-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-5-oxo-6,7,8,9-tetrahydrothiepino[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methanol
CID 176866603

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[[(5S)-2-[4-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[[1-[[(5S)-2-[4-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methyl]-1,3-oxazolidin-2-one (CID 176868853) is 3-[[1-[[(5S)-2-[4-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[[1-[[(5S)-2-[4-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[[1-[[(5S)-2-[4-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methyl]-1,3-oxazolidin-2-one is O=C1OCCN1CC1(Nc2nc(N3CC=C(c4ncc(Cl)cn4)CC3)nc3c2[S@@](=O)CC3)CCC1.
What is the InChIKey of 3-[[1-[[(5S)-2-[4-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is UQDTWSTUMMAESE-DHUJRADRSA-N. The full InChI is InChI=1S/C23H26ClN7O3S/c24-16-12-25-19(26-13-16)15-2-7-30(8-3-15)21-27-17-4-11-35(33)18(17)20(28-21)29-23(5-1-6-23)14-31-9-10-34-22(31)32/h2,12-13H,1,3-11,14H2,(H,27,28,29)/t35-/m0/s1.
What are the key properties of 3-[[1-[[(5S)-2-[4-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methyl]-1,3-oxazolidin-2-one?
3-[[1-[[(5S)-2-[4-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 516.03 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[[(5S)-2-[4-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 176868853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).