8-(2,3-dihydrofuro[3,2-b]pyridine-5-carbonyl)-2-pyridin-2-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one

C20H17N5O3 — CID 139322914

IUPAC8-(2,3-dihydrofuro[3,2-b]pyridine-5-carbonyl)-2-pyridin-2-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one
SMILESO=C(c1ccc2c(n1)CCO2)N1CCCc2c1nc(-c1ccccn1)[nH]c2=O
InChIInChI=1S/C20H17N5O3/c26-19-12-4-3-10-25(18(12)23-17(24-19)14-5-1-2-9-21-14)20(27)15-6-7-16-13(22-15)8-11-28-16/h1-2,5-7,9H,3-4,8,10-11H2,(H,23,24,26)
InChIKeyLVWBBQVOQDYTAF-UHFFFAOYSA-N
MW375.39 g/mol
LogP1.75
Rot. Bonds2

About 8-(2,3-dihydrofuro[3,2-b]pyridine-5-carbonyl)-2-pyridin-2-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one

8-(2,3-dihydrofuro[3,2-b]pyridine-5-carbonyl)-2-pyridin-2-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one (PubChem CID 139322914) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 8-(2,3-dihydrofuro[3,2-b]pyridine-5-carbonyl)-2-pyridin-2-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name8-(2,3-dihydrofuro[3,2-b]pyridine-5-carbonyl)-2-pyridin-2-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one
PubChem CID139322914
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name8-(2,3-dihydrofuro[3,2-b]pyridine-5-carbonyl)-2-pyridin-2-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one
SMILESO=C(c1ccc2c(n1)CCO2)N1CCCc2c1nc(-c1ccccn1)[nH]c2=O
InChIInChI=1S/C20H17N5O3/c26-19-12-4-3-10-25(18(12)23-17(24-19)14-5-1-2-9-21-14)20(27)15-6-7-16-13(22-15)8-11-28-16/h1-2,5-7,9H,3-4,8,10-11H2,(H,23,24,26)
InChIKeyLVWBBQVOQDYTAF-UHFFFAOYSA-N
XLogP1.75
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dihydrofuro[3,2-b]pyridine-5-carbonyl)-2-pyridin-2-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 8-(2,3-dihydrofuro[3,2-b]pyridine-5-carbonyl)-2-pyridin-2-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one (CID 139322914) is 8-(2,3-dihydrofuro[3,2-b]pyridine-5-carbonyl)-2-pyridin-2-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 8-(2,3-dihydrofuro[3,2-b]pyridine-5-carbonyl)-2-pyridin-2-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 8-(2,3-dihydrofuro[3,2-b]pyridine-5-carbonyl)-2-pyridin-2-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one is O=C(c1ccc2c(n1)CCO2)N1CCCc2c1nc(-c1ccccn1)[nH]c2=O.
What is the InChIKey of 8-(2,3-dihydrofuro[3,2-b]pyridine-5-carbonyl)-2-pyridin-2-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one?
The InChIKey is LVWBBQVOQDYTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c26-19-12-4-3-10-25(18(12)23-17(24-19)14-5-1-2-9-21-14)20(27)15-6-7-16-13(22-15)8-11-28-16/h1-2,5-7,9H,3-4,8,10-11H2,(H,23,24,26).
What are the key properties of 8-(2,3-dihydrofuro[3,2-b]pyridine-5-carbonyl)-2-pyridin-2-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one?
8-(2,3-dihydrofuro[3,2-b]pyridine-5-carbonyl)-2-pyridin-2-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one has a molecular weight of 375.39 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dihydrofuro[3,2-b]pyridine-5-carbonyl)-2-pyridin-2-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 139322914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).