2,4-bis(3-amino-5-bromofuro[2,3-c]pyridin-2-yl)pentan-3-one

C19H16Br2N4O3 — CID 156693000

IUPAC2,4-bis(3-amino-5-bromofuro[2,3-c]pyridin-2-yl)pentan-3-one
SMILESCC(C(=O)C(C)c1oc2cnc(Br)cc2c1N)c1oc2cnc(Br)cc2c1N
InChIInChI=1S/C19H16Br2N4O3/c1-7(18-15(22)9-3-13(20)24-5-11(9)27-18)17(26)8(2)19-16(23)10-4-14(21)25-6-12(10)28-19/h3-8H,22-23H2,1-2H3
InChIKeyHCLUAEGGMKGAEJ-UHFFFAOYSA-N
MW508.17 g/mol
LogP5.13
Rot. Bonds4

About 2,4-bis(3-amino-5-bromofuro[2,3-c]pyridin-2-yl)pentan-3-one

2,4-bis(3-amino-5-bromofuro[2,3-c]pyridin-2-yl)pentan-3-one (PubChem CID 156693000) has the molecular formula C19H16Br2N4O3 and a molecular weight of 508.17 g/mol. Its IUPAC name is 2,4-bis(3-amino-5-bromofuro[2,3-c]pyridin-2-yl)pentan-3-one.

Molecular Properties

Compound Name2,4-bis(3-amino-5-bromofuro[2,3-c]pyridin-2-yl)pentan-3-one
PubChem CID156693000
Molecular FormulaC19H16Br2N4O3
Molecular Weight508.17 g/mol
Exact Mass505.96
IUPAC Name2,4-bis(3-amino-5-bromofuro[2,3-c]pyridin-2-yl)pentan-3-one
SMILESCC(C(=O)C(C)c1oc2cnc(Br)cc2c1N)c1oc2cnc(Br)cc2c1N
InChIInChI=1S/C19H16Br2N4O3/c1-7(18-15(22)9-3-13(20)24-5-11(9)27-18)17(26)8(2)19-16(23)10-4-14(21)25-6-12(10)28-19/h3-8H,22-23H2,1-2H3
InChIKeyHCLUAEGGMKGAEJ-UHFFFAOYSA-N
XLogP5.13
TPSA121.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.17
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3-amino-5-bromofuro[2,3-c]pyridin-2-yl)pentan-3-one?
The IUPAC name of 2,4-bis(3-amino-5-bromofuro[2,3-c]pyridin-2-yl)pentan-3-one (CID 156693000) is 2,4-bis(3-amino-5-bromofuro[2,3-c]pyridin-2-yl)pentan-3-one.
What is the SMILES notation for 2,4-bis(3-amino-5-bromofuro[2,3-c]pyridin-2-yl)pentan-3-one?
The canonical SMILES for 2,4-bis(3-amino-5-bromofuro[2,3-c]pyridin-2-yl)pentan-3-one is CC(C(=O)C(C)c1oc2cnc(Br)cc2c1N)c1oc2cnc(Br)cc2c1N.
What is the InChIKey of 2,4-bis(3-amino-5-bromofuro[2,3-c]pyridin-2-yl)pentan-3-one?
The InChIKey is HCLUAEGGMKGAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Br2N4O3/c1-7(18-15(22)9-3-13(20)24-5-11(9)27-18)17(26)8(2)19-16(23)10-4-14(21)25-6-12(10)28-19/h3-8H,22-23H2,1-2H3.
What are the key properties of 2,4-bis(3-amino-5-bromofuro[2,3-c]pyridin-2-yl)pentan-3-one?
2,4-bis(3-amino-5-bromofuro[2,3-c]pyridin-2-yl)pentan-3-one has a molecular weight of 508.17 g/mol, XLogP of 5.13, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3-amino-5-bromofuro[2,3-c]pyridin-2-yl)pentan-3-one is sourced from PubChem (CID 156693000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).