acetic acid;7-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-6-yl]phenyl]imidazo[1,2-a]pyridine

C31H30N6O3 — CID 71533110

IUPACacetic acid;7-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-6-yl]phenyl]imidazo[1,2-a]pyridine
SMILESCC(=O)O.c1cn2cc(-c3ccc(-c4ccc5cc(C6=NCCCN6)oc5c4)cc3)nc2cc1C1=NCCCN1
InChIInChI=1S/C29H26N6O.C2H4O2/c1-10-30-28(31-11-1)23-9-14-35-18-24(34-27(35)17-23)20-5-3-19(4-6-20)21-7-8-22-16-26(36-25(22)15-21)29-32-12-2-13-33-29;1-2(3)4/h3-9,14-18H,1-2,10-13H2,(H,30,31)(H,32,33);1H3,(H,3,4)
InChIKeyBLLISCKBOGHLSX-UHFFFAOYSA-N
MW534.62 g/mol
LogP4.99
Rot. Bonds4

About acetic acid;7-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-6-yl]phenyl]imidazo[1,2-a]pyridine

acetic acid;7-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-6-yl]phenyl]imidazo[1,2-a]pyridine (PubChem CID 71533110) has the molecular formula C31H30N6O3 and a molecular weight of 534.62 g/mol. Its IUPAC name is acetic acid;7-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-6-yl]phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Nameacetic acid;7-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-6-yl]phenyl]imidazo[1,2-a]pyridine
PubChem CID71533110
Molecular FormulaC31H30N6O3
Molecular Weight534.62 g/mol
Exact Mass534.24
IUPAC Nameacetic acid;7-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-6-yl]phenyl]imidazo[1,2-a]pyridine
SMILESCC(=O)O.c1cn2cc(-c3ccc(-c4ccc5cc(C6=NCCCN6)oc5c4)cc3)nc2cc1C1=NCCCN1
InChIInChI=1S/C29H26N6O.C2H4O2/c1-10-30-28(31-11-1)23-9-14-35-18-24(34-27(35)17-23)20-5-3-19(4-6-20)21-7-8-22-16-26(36-25(22)15-21)29-32-12-2-13-33-29;1-2(3)4/h3-9,14-18H,1-2,10-13H2,(H,30,31)(H,32,33);1H3,(H,3,4)
InChIKeyBLLISCKBOGHLSX-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;7-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-6-yl]phenyl]imidazo[1,2-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of acetic acid;7-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-6-yl]phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of acetic acid;7-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-6-yl]phenyl]imidazo[1,2-a]pyridine (CID 71533110) is acetic acid;7-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-6-yl]phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for acetic acid;7-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-6-yl]phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for acetic acid;7-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-6-yl]phenyl]imidazo[1,2-a]pyridine is CC(=O)O.c1cn2cc(-c3ccc(-c4ccc5cc(C6=NCCCN6)oc5c4)cc3)nc2cc1C1=NCCCN1.
What is the InChIKey of acetic acid;7-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-6-yl]phenyl]imidazo[1,2-a]pyridine?
The InChIKey is BLLISCKBOGHLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O.C2H4O2/c1-10-30-28(31-11-1)23-9-14-35-18-24(34-27(35)17-23)20-5-3-19(4-6-20)21-7-8-22-16-26(36-25(22)15-21)29-32-12-2-13-33-29;1-2(3)4/h3-9,14-18H,1-2,10-13H2,(H,30,31)(H,32,33);1H3,(H,3,4).
What are the key properties of acetic acid;7-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-6-yl]phenyl]imidazo[1,2-a]pyridine?
acetic acid;7-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-6-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;7-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-6-yl]phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 71533110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).