acetic acid;2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]imidazo[1,2-a]pyridine

C31H30N6O3 — CID 71533056

IUPACacetic acid;2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]imidazo[1,2-a]pyridine
SMILESCC(=O)O.c1cc2cc(-c3ccc(-c4ccc5nc(C6=NCCCN6)cn5c4)cc3)oc2cc1C1=NCCCN1
InChIInChI=1S/C29H26N6O.C2H4O2/c1-11-30-28(31-12-1)22-8-7-21-15-25(36-26(21)16-22)20-5-3-19(4-6-20)23-9-10-27-34-24(18-35(27)17-23)29-32-13-2-14-33-29;1-2(3)4/h3-10,15-18H,1-2,11-14H2,(H,30,31)(H,32,33);1H3,(H,3,4)
InChIKeyAJFJWBKDOHLTMP-UHFFFAOYSA-N
MW534.62 g/mol
LogP4.99
Rot. Bonds4

About acetic acid;2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]imidazo[1,2-a]pyridine

acetic acid;2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]imidazo[1,2-a]pyridine (PubChem CID 71533056) has the molecular formula C31H30N6O3 and a molecular weight of 534.62 g/mol. Its IUPAC name is acetic acid;2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Nameacetic acid;2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]imidazo[1,2-a]pyridine
PubChem CID71533056
Molecular FormulaC31H30N6O3
Molecular Weight534.62 g/mol
Exact Mass534.24
IUPAC Nameacetic acid;2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]imidazo[1,2-a]pyridine
SMILESCC(=O)O.c1cc2cc(-c3ccc(-c4ccc5nc(C6=NCCCN6)cn5c4)cc3)oc2cc1C1=NCCCN1
InChIInChI=1S/C29H26N6O.C2H4O2/c1-11-30-28(31-12-1)22-8-7-21-15-25(36-26(21)16-22)20-5-3-19(4-6-20)23-9-10-27-34-24(18-35(27)17-23)29-32-13-2-14-33-29;1-2(3)4/h3-10,15-18H,1-2,11-14H2,(H,30,31)(H,32,33);1H3,(H,3,4)
InChIKeyAJFJWBKDOHLTMP-UHFFFAOYSA-N
XLogP4.99
TPSA116.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.62
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze acetic acid;2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]imidazo[1,2-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of acetic acid;2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]imidazo[1,2-a]pyridine (CID 71533056) is acetic acid;2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for acetic acid;2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for acetic acid;2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]imidazo[1,2-a]pyridine is CC(=O)O.c1cc2cc(-c3ccc(-c4ccc5nc(C6=NCCCN6)cn5c4)cc3)oc2cc1C1=NCCCN1.
What is the InChIKey of acetic acid;2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]imidazo[1,2-a]pyridine?
The InChIKey is AJFJWBKDOHLTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O.C2H4O2/c1-11-30-28(31-12-1)22-8-7-21-15-25(36-26(21)16-22)20-5-3-19(4-6-20)23-9-10-27-34-24(18-35(27)17-23)29-32-13-2-14-33-29;1-2(3)4/h3-10,15-18H,1-2,11-14H2,(H,30,31)(H,32,33);1H3,(H,3,4).
What are the key properties of acetic acid;2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]imidazo[1,2-a]pyridine?
acetic acid;2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]imidazo[1,2-a]pyridine has a molecular weight of 534.62 g/mol, XLogP of 4.99, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[4-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 71533056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).