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

C25H27N7O2 — CID 71533106

IUPACacetic acid;2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]imidazo[1,2-a]pyridine
SMILESCC(=O)O.c1cc2cc(-c3ccc4nc(C5=NCCCN5)cn4c3)[nH]c2cc1C1=NCCCN1
InChIInChI=1S/C23H23N7.C2H4O2/c1-7-24-22(25-8-1)16-4-3-15-11-19(28-18(15)12-16)17-5-6-21-29-20(14-30(21)13-17)23-26-9-2-10-27-23;1-2(3)4/h3-6,11-14,28H,1-2,7-10H2,(H,24,25)(H,26,27);1H3,(H,3,4)
InChIKeyFRVGIESJDLXPNV-UHFFFAOYSA-N
MW457.54 g/mol
LogP3.05
Rot. Bonds3

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

acetic acid;2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]imidazo[1,2-a]pyridine (PubChem CID 71533106) has the molecular formula C25H27N7O2 and a molecular weight of 457.54 g/mol. Its IUPAC name is acetic acid;2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Nameacetic acid;2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]imidazo[1,2-a]pyridine
PubChem CID71533106
Molecular FormulaC25H27N7O2
Molecular Weight457.54 g/mol
Exact Mass457.22
IUPAC Nameacetic acid;2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]imidazo[1,2-a]pyridine
SMILESCC(=O)O.c1cc2cc(-c3ccc4nc(C5=NCCCN5)cn4c3)[nH]c2cc1C1=NCCCN1
InChIInChI=1S/C23H23N7.C2H4O2/c1-7-24-22(25-8-1)16-4-3-15-11-19(28-18(15)12-16)17-5-6-21-29-20(14-30(21)13-17)23-26-9-2-10-27-23;1-2(3)4/h3-6,11-14,28H,1-2,7-10H2,(H,24,25)(H,26,27);1H3,(H,3,4)
InChIKeyFRVGIESJDLXPNV-UHFFFAOYSA-N
XLogP3.05
TPSA119.17 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 53.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]imidazo[1,2-a]pyridine?
The IUPAC name of acetic acid;2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]imidazo[1,2-a]pyridine (CID 71533106) is acetic acid;2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for acetic acid;2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for acetic acid;2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]imidazo[1,2-a]pyridine is CC(=O)O.c1cc2cc(-c3ccc4nc(C5=NCCCN5)cn4c3)[nH]c2cc1C1=NCCCN1.
What is the InChIKey of acetic acid;2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]imidazo[1,2-a]pyridine?
The InChIKey is FRVGIESJDLXPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7.C2H4O2/c1-7-24-22(25-8-1)16-4-3-15-11-19(28-18(15)12-16)17-5-6-21-29-20(14-30(21)13-17)23-26-9-2-10-27-23;1-2(3)4/h3-6,11-14,28H,1-2,7-10H2,(H,24,25)(H,26,27);1H3,(H,3,4).
What are the key properties of acetic acid;2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]imidazo[1,2-a]pyridine?
acetic acid;2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]imidazo[1,2-a]pyridine has a molecular weight of 457.54 g/mol, XLogP of 3.05, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-(1,4,5,6-tetrahydropyrimidin-2-yl)-6-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indol-2-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 71533106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).