2-pyrimidin-2-ylfuro[3,2-b]pyridine;1-pyrimidin-2-ylisoquinoline

C24H16N6O — CID 70207772

IUPAC2-pyrimidin-2-ylfuro[3,2-b]pyridine;1-pyrimidin-2-ylisoquinoline
SMILESc1cnc(-c2cc3ncccc3o2)nc1.c1cnc(-c2nccc3ccccc23)nc1
InChIInChI=1S/C13H9N3.C11H7N3O/c1-2-5-11-10(4-1)6-9-14-12(11)13-15-7-3-8-16-13;1-3-9-8(12-4-1)7-10(15-9)11-13-5-2-6-14-11/h1-9H;1-7H
InChIKeyODVVDDCFPMHNDO-UHFFFAOYSA-N
MW404.43 g/mol
LogP4.98
Rot. Bonds2

About 2-pyrimidin-2-ylfuro[3,2-b]pyridine;1-pyrimidin-2-ylisoquinoline

2-pyrimidin-2-ylfuro[3,2-b]pyridine;1-pyrimidin-2-ylisoquinoline (PubChem CID 70207772) has the molecular formula C24H16N6O and a molecular weight of 404.43 g/mol. Its IUPAC name is 2-pyrimidin-2-ylfuro[3,2-b]pyridine;1-pyrimidin-2-ylisoquinoline.

Molecular Properties

Compound Name2-pyrimidin-2-ylfuro[3,2-b]pyridine;1-pyrimidin-2-ylisoquinoline
PubChem CID70207772
Molecular FormulaC24H16N6O
Molecular Weight404.43 g/mol
Exact Mass404.14
IUPAC Name2-pyrimidin-2-ylfuro[3,2-b]pyridine;1-pyrimidin-2-ylisoquinoline
SMILESc1cnc(-c2cc3ncccc3o2)nc1.c1cnc(-c2nccc3ccccc23)nc1
InChIInChI=1S/C13H9N3.C11H7N3O/c1-2-5-11-10(4-1)6-9-14-12(11)13-15-7-3-8-16-13;1-3-9-8(12-4-1)7-10(15-9)11-13-5-2-6-14-11/h1-9H;1-7H
InChIKeyODVVDDCFPMHNDO-UHFFFAOYSA-N
XLogP4.98
TPSA90.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-ylfuro[3,2-b]pyridine;1-pyrimidin-2-ylisoquinoline?
The IUPAC name of 2-pyrimidin-2-ylfuro[3,2-b]pyridine;1-pyrimidin-2-ylisoquinoline (CID 70207772) is 2-pyrimidin-2-ylfuro[3,2-b]pyridine;1-pyrimidin-2-ylisoquinoline.
What is the SMILES notation for 2-pyrimidin-2-ylfuro[3,2-b]pyridine;1-pyrimidin-2-ylisoquinoline?
The canonical SMILES for 2-pyrimidin-2-ylfuro[3,2-b]pyridine;1-pyrimidin-2-ylisoquinoline is c1cnc(-c2cc3ncccc3o2)nc1.c1cnc(-c2nccc3ccccc23)nc1.
What is the InChIKey of 2-pyrimidin-2-ylfuro[3,2-b]pyridine;1-pyrimidin-2-ylisoquinoline?
The InChIKey is ODVVDDCFPMHNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3.C11H7N3O/c1-2-5-11-10(4-1)6-9-14-12(11)13-15-7-3-8-16-13;1-3-9-8(12-4-1)7-10(15-9)11-13-5-2-6-14-11/h1-9H;1-7H.
What are the key properties of 2-pyrimidin-2-ylfuro[3,2-b]pyridine;1-pyrimidin-2-ylisoquinoline?
2-pyrimidin-2-ylfuro[3,2-b]pyridine;1-pyrimidin-2-ylisoquinoline has a molecular weight of 404.43 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-ylfuro[3,2-b]pyridine;1-pyrimidin-2-ylisoquinoline is sourced from PubChem (CID 70207772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).