(2-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-yl) (2S)-pyrrolidine-2-carboxylate

C20H16N4O3 — CID 154976757

IUPAC(2-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-yl) (2S)-pyrrolidine-2-carboxylate
SMILESO=C(Oc1nc(-c2ccncc2)nc2c1oc1ccccc12)[C@@H]1CCCN1
InChIInChI=1S/C20H16N4O3/c25-20(14-5-3-9-22-14)27-19-17-16(13-4-1-2-6-15(13)26-17)23-18(24-19)12-7-10-21-11-8-12/h1-2,4,6-8,10-11,14,22H,3,5,9H2/t14-/m0/s1
InChIKeyVISRPIUGWSFXDH-AWEZNQCLSA-N
MW360.37 g/mol
LogP3.10
Rot. Bonds3

About (2-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-yl) (2S)-pyrrolidine-2-carboxylate

(2-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-yl) (2S)-pyrrolidine-2-carboxylate (PubChem CID 154976757) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is (2-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-yl) (2S)-pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(2-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-yl) (2S)-pyrrolidine-2-carboxylate
PubChem CID154976757
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name(2-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-yl) (2S)-pyrrolidine-2-carboxylate
SMILESO=C(Oc1nc(-c2ccncc2)nc2c1oc1ccccc12)[C@@H]1CCCN1
InChIInChI=1S/C20H16N4O3/c25-20(14-5-3-9-22-14)27-19-17-16(13-4-1-2-6-15(13)26-17)23-18(24-19)12-7-10-21-11-8-12/h1-2,4,6-8,10-11,14,22H,3,5,9H2/t14-/m0/s1
InChIKeyVISRPIUGWSFXDH-AWEZNQCLSA-N
XLogP3.10
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-yl) (2S)-pyrrolidine-2-carboxylate?
The IUPAC name of (2-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-yl) (2S)-pyrrolidine-2-carboxylate (CID 154976757) is (2-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-yl) (2S)-pyrrolidine-2-carboxylate.
What is the SMILES notation for (2-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-yl) (2S)-pyrrolidine-2-carboxylate?
The canonical SMILES for (2-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-yl) (2S)-pyrrolidine-2-carboxylate is O=C(Oc1nc(-c2ccncc2)nc2c1oc1ccccc12)[C@@H]1CCCN1.
What is the InChIKey of (2-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-yl) (2S)-pyrrolidine-2-carboxylate?
The InChIKey is VISRPIUGWSFXDH-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H16N4O3/c25-20(14-5-3-9-22-14)27-19-17-16(13-4-1-2-6-15(13)26-17)23-18(24-19)12-7-10-21-11-8-12/h1-2,4,6-8,10-11,14,22H,3,5,9H2/t14-/m0/s1.
What are the key properties of (2-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-yl) (2S)-pyrrolidine-2-carboxylate?
(2-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-yl) (2S)-pyrrolidine-2-carboxylate has a molecular weight of 360.37 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidin-4-yl) (2S)-pyrrolidine-2-carboxylate is sourced from PubChem (CID 154976757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).