3-[4-(2-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one

C16H14ClN5O2 — CID 153307442

IUPAC3-[4-(2-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one
SMILESCCc1c(Cl)[nH]c2ncc(-c3ccnc(N4CCOC4=O)n3)cc12
InChIInChI=1S/C16H14ClN5O2/c1-2-10-11-7-9(8-19-14(11)21-13(10)17)12-3-4-18-15(20-12)22-5-6-24-16(22)23/h3-4,7-8H,2,5-6H2,1H3,(H,19,21)
InChIKeyQLDDRJKGXYVBIQ-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.19
Rot. Bonds3

About 3-[4-(2-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one

3-[4-(2-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one (PubChem CID 153307442) has the molecular formula C16H14ClN5O2 and a molecular weight of 343.77 g/mol. Its IUPAC name is 3-[4-(2-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-(2-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one
PubChem CID153307442
Molecular FormulaC16H14ClN5O2
Molecular Weight343.77 g/mol
Exact Mass343.08
IUPAC Name3-[4-(2-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one
SMILESCCc1c(Cl)[nH]c2ncc(-c3ccnc(N4CCOC4=O)n3)cc12
InChIInChI=1S/C16H14ClN5O2/c1-2-10-11-7-9(8-19-14(11)21-13(10)17)12-3-4-18-15(20-12)22-5-6-24-16(22)23/h3-4,7-8H,2,5-6H2,1H3,(H,19,21)
InChIKeyQLDDRJKGXYVBIQ-UHFFFAOYSA-N
XLogP3.19
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-(2-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one (CID 153307442) is 3-[4-(2-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-(2-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-(2-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one is CCc1c(Cl)[nH]c2ncc(-c3ccnc(N4CCOC4=O)n3)cc12.
What is the InChIKey of 3-[4-(2-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is QLDDRJKGXYVBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2/c1-2-10-11-7-9(8-19-14(11)21-13(10)17)12-3-4-18-15(20-12)22-5-6-24-16(22)23/h3-4,7-8H,2,5-6H2,1H3,(H,19,21).
What are the key properties of 3-[4-(2-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one?
3-[4-(2-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 343.77 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 153307442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).