3-[6-[5-chloro-2-[[1-methyl-3-[2-(triazol-2-yl)propan-2-yl]pyrazol-5-yl]amino]pyrimidin-4-yl]-4-fluoro-1-propan-2-ylbenzimidazol-2-yl]-1,3-oxazolidin-2-one

C26H27ClFN11O2 — CID 176882830

IUPAC3-[6-[5-chloro-2-[[1-methyl-3-[2-(triazol-2-yl)propan-2-yl]pyrazol-5-yl]amino]pyrimidin-4-yl]-4-fluoro-1-propan-2-ylbenzimidazol-2-yl]-1,3-oxazolidin-2-one
SMILESCC(C)n1c(N2CCOC2=O)nc2c(F)cc(-c3nc(Nc4cc(C(C)(C)n5nccn5)nn4C)ncc3Cl)cc21
InChIInChI=1S/C26H27ClFN11O2/c1-14(2)38-18-11-15(10-17(28)22(18)34-24(38)37-8-9-41-25(37)40)21-16(27)13-29-23(33-21)32-20-12-19(35-36(20)5)26(3,4)39-30-6-7-31-39/h6-7,10-14H,8-9H2,1-5H3,(H,29,32,33)
InChIKeyGEBNVGSEGGHHPB-UHFFFAOYSA-N
MW580.03 g/mol
LogP4.68
Rot. Bonds7

About 3-[6-[5-chloro-2-[[1-methyl-3-[2-(triazol-2-yl)propan-2-yl]pyrazol-5-yl]amino]pyrimidin-4-yl]-4-fluoro-1-propan-2-ylbenzimidazol-2-yl]-1,3-oxazolidin-2-one

3-[6-[5-chloro-2-[[1-methyl-3-[2-(triazol-2-yl)propan-2-yl]pyrazol-5-yl]amino]pyrimidin-4-yl]-4-fluoro-1-propan-2-ylbenzimidazol-2-yl]-1,3-oxazolidin-2-one (PubChem CID 176882830) has the molecular formula C26H27ClFN11O2 and a molecular weight of 580.03 g/mol. Its IUPAC name is 3-[6-[5-chloro-2-[[1-methyl-3-[2-(triazol-2-yl)propan-2-yl]pyrazol-5-yl]amino]pyrimidin-4-yl]-4-fluoro-1-propan-2-ylbenzimidazol-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[6-[5-chloro-2-[[1-methyl-3-[2-(triazol-2-yl)propan-2-yl]pyrazol-5-yl]amino]pyrimidin-4-yl]-4-fluoro-1-propan-2-ylbenzimidazol-2-yl]-1,3-oxazolidin-2-one
PubChem CID176882830
Molecular FormulaC26H27ClFN11O2
Molecular Weight580.03 g/mol
Exact Mass579.20
IUPAC Name3-[6-[5-chloro-2-[[1-methyl-3-[2-(triazol-2-yl)propan-2-yl]pyrazol-5-yl]amino]pyrimidin-4-yl]-4-fluoro-1-propan-2-ylbenzimidazol-2-yl]-1,3-oxazolidin-2-one
SMILESCC(C)n1c(N2CCOC2=O)nc2c(F)cc(-c3nc(Nc4cc(C(C)(C)n5nccn5)nn4C)ncc3Cl)cc21
InChIInChI=1S/C26H27ClFN11O2/c1-14(2)38-18-11-15(10-17(28)22(18)34-24(38)37-8-9-41-25(37)40)21-16(27)13-29-23(33-21)32-20-12-19(35-36(20)5)26(3,4)39-30-6-7-31-39/h6-7,10-14H,8-9H2,1-5H3,(H,29,32,33)
InChIKeyGEBNVGSEGGHHPB-UHFFFAOYSA-N
XLogP4.68
TPSA133.70 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.03
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 3-[6-[5-chloro-2-[[1-methyl-3-[2-(triazol-2-yl)propan-2-yl]pyrazol-5-yl]amino]pyrimidin-4-yl]-4-fluoro-1-propan-2-ylbenzimidazol-2-yl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[5-chloro-2-[[1-methyl-3-[2-(triazol-2-yl)propan-2-yl]pyrazol-5-yl]amino]pyrimidin-4-yl]-4-fluoro-1-propan-2-ylbenzimidazol-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[6-[5-chloro-2-[[1-methyl-3-[2-(triazol-2-yl)propan-2-yl]pyrazol-5-yl]amino]pyrimidin-4-yl]-4-fluoro-1-propan-2-ylbenzimidazol-2-yl]-1,3-oxazolidin-2-one (CID 176882830) is 3-[6-[5-chloro-2-[[1-methyl-3-[2-(triazol-2-yl)propan-2-yl]pyrazol-5-yl]amino]pyrimidin-4-yl]-4-fluoro-1-propan-2-ylbenzimidazol-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[6-[5-chloro-2-[[1-methyl-3-[2-(triazol-2-yl)propan-2-yl]pyrazol-5-yl]amino]pyrimidin-4-yl]-4-fluoro-1-propan-2-ylbenzimidazol-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[6-[5-chloro-2-[[1-methyl-3-[2-(triazol-2-yl)propan-2-yl]pyrazol-5-yl]amino]pyrimidin-4-yl]-4-fluoro-1-propan-2-ylbenzimidazol-2-yl]-1,3-oxazolidin-2-one is CC(C)n1c(N2CCOC2=O)nc2c(F)cc(-c3nc(Nc4cc(C(C)(C)n5nccn5)nn4C)ncc3Cl)cc21.
What is the InChIKey of 3-[6-[5-chloro-2-[[1-methyl-3-[2-(triazol-2-yl)propan-2-yl]pyrazol-5-yl]amino]pyrimidin-4-yl]-4-fluoro-1-propan-2-ylbenzimidazol-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is GEBNVGSEGGHHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClFN11O2/c1-14(2)38-18-11-15(10-17(28)22(18)34-24(38)37-8-9-41-25(37)40)21-16(27)13-29-23(33-21)32-20-12-19(35-36(20)5)26(3,4)39-30-6-7-31-39/h6-7,10-14H,8-9H2,1-5H3,(H,29,32,33).
What are the key properties of 3-[6-[5-chloro-2-[[1-methyl-3-[2-(triazol-2-yl)propan-2-yl]pyrazol-5-yl]amino]pyrimidin-4-yl]-4-fluoro-1-propan-2-ylbenzimidazol-2-yl]-1,3-oxazolidin-2-one?
3-[6-[5-chloro-2-[[1-methyl-3-[2-(triazol-2-yl)propan-2-yl]pyrazol-5-yl]amino]pyrimidin-4-yl]-4-fluoro-1-propan-2-ylbenzimidazol-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 580.03 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[5-chloro-2-[[1-methyl-3-[2-(triazol-2-yl)propan-2-yl]pyrazol-5-yl]amino]pyrimidin-4-yl]-4-fluoro-1-propan-2-ylbenzimidazol-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 176882830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).