propan-2-yl 2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-6-(propan-2-yloxycarbonylamino)imidazo[4,5-b]pyridine-1-carboxylate

C25H24ClN5O6 — CID 85471015

IUPACpropan-2-yl 2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-6-(propan-2-yloxycarbonylamino)imidazo[4,5-b]pyridine-1-carboxylate
SMILESCC(C)OC(=O)Nc1cnc2nc(-c3cc(NC(=O)c4ccco4)ccc3Cl)n(C(=O)OC(C)C)c2c1
InChIInChI=1S/C25H24ClN5O6/c1-13(2)36-24(33)29-16-11-19-21(27-12-16)30-22(31(19)25(34)37-14(3)4)17-10-15(7-8-18(17)26)28-23(32)20-6-5-9-35-20/h5-14H,1-4H3,(H,28,32)(H,29,33)
InChIKeyJZUYUMZHWUSEPD-UHFFFAOYSA-N
MW525.95 g/mol
LogP5.95
Rot. Bonds6

About propan-2-yl 2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-6-(propan-2-yloxycarbonylamino)imidazo[4,5-b]pyridine-1-carboxylate

propan-2-yl 2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-6-(propan-2-yloxycarbonylamino)imidazo[4,5-b]pyridine-1-carboxylate (PubChem CID 85471015) has the molecular formula C25H24ClN5O6 and a molecular weight of 525.95 g/mol. Its IUPAC name is propan-2-yl 2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-6-(propan-2-yloxycarbonylamino)imidazo[4,5-b]pyridine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-6-(propan-2-yloxycarbonylamino)imidazo[4,5-b]pyridine-1-carboxylate
PubChem CID85471015
Molecular FormulaC25H24ClN5O6
Molecular Weight525.95 g/mol
Exact Mass525.14
IUPAC Namepropan-2-yl 2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-6-(propan-2-yloxycarbonylamino)imidazo[4,5-b]pyridine-1-carboxylate
SMILESCC(C)OC(=O)Nc1cnc2nc(-c3cc(NC(=O)c4ccco4)ccc3Cl)n(C(=O)OC(C)C)c2c1
InChIInChI=1S/C25H24ClN5O6/c1-13(2)36-24(33)29-16-11-19-21(27-12-16)30-22(31(19)25(34)37-14(3)4)17-10-15(7-8-18(17)26)28-23(32)20-6-5-9-35-20/h5-14H,1-4H3,(H,28,32)(H,29,33)
InChIKeyJZUYUMZHWUSEPD-UHFFFAOYSA-N
XLogP5.95
TPSA137.58 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.95
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-6-(propan-2-yloxycarbonylamino)imidazo[4,5-b]pyridine-1-carboxylate?
The IUPAC name of propan-2-yl 2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-6-(propan-2-yloxycarbonylamino)imidazo[4,5-b]pyridine-1-carboxylate (CID 85471015) is propan-2-yl 2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-6-(propan-2-yloxycarbonylamino)imidazo[4,5-b]pyridine-1-carboxylate.
What is the SMILES notation for propan-2-yl 2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-6-(propan-2-yloxycarbonylamino)imidazo[4,5-b]pyridine-1-carboxylate?
The canonical SMILES for propan-2-yl 2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-6-(propan-2-yloxycarbonylamino)imidazo[4,5-b]pyridine-1-carboxylate is CC(C)OC(=O)Nc1cnc2nc(-c3cc(NC(=O)c4ccco4)ccc3Cl)n(C(=O)OC(C)C)c2c1.
What is the InChIKey of propan-2-yl 2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-6-(propan-2-yloxycarbonylamino)imidazo[4,5-b]pyridine-1-carboxylate?
The InChIKey is JZUYUMZHWUSEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O6/c1-13(2)36-24(33)29-16-11-19-21(27-12-16)30-22(31(19)25(34)37-14(3)4)17-10-15(7-8-18(17)26)28-23(32)20-6-5-9-35-20/h5-14H,1-4H3,(H,28,32)(H,29,33).
What are the key properties of propan-2-yl 2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-6-(propan-2-yloxycarbonylamino)imidazo[4,5-b]pyridine-1-carboxylate?
propan-2-yl 2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-6-(propan-2-yloxycarbonylamino)imidazo[4,5-b]pyridine-1-carboxylate has a molecular weight of 525.95 g/mol, XLogP of 5.95, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[2-chloro-5-(furan-2-carbonylamino)phenyl]-6-(propan-2-yloxycarbonylamino)imidazo[4,5-b]pyridine-1-carboxylate is sourced from PubChem (CID 85471015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).