acetic acid;7-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[4-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-indol-3-yl]phenyl]imidazo[1,2-a]pyridine

C31H31N7O2 — CID 71516870

IUPACacetic acid;7-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[4-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-indol-3-yl]phenyl]imidazo[1,2-a]pyridine
SMILESCC(=O)O.CC1CN=C(c2ccc3c(-c4ccc(-c5cn6ccc(C7=NCC(C)N7)cc6n5)cc4)c[nH]c3c2)N1
InChIInChI=1S/C29H27N7.C2H4O2/c1-17-13-31-28(33-17)21-7-8-23-24(15-30-25(23)11-21)19-3-5-20(6-4-19)26-16-36-10-9-22(12-27(36)35-26)29-32-14-18(2)34-29;1-2(3)4/h3-12,15-18,30H,13-14H2,1-2H3,(H,31,33)(H,32,34);1H3,(H,3,4)
InChIKeyCPSHWBPMCKHOBU-UHFFFAOYSA-N
MW533.64 g/mol
LogP4.72
Rot. Bonds4

About acetic acid;7-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[4-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-indol-3-yl]phenyl]imidazo[1,2-a]pyridine

acetic acid;7-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[4-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-indol-3-yl]phenyl]imidazo[1,2-a]pyridine (PubChem CID 71516870) has the molecular formula C31H31N7O2 and a molecular weight of 533.64 g/mol. Its IUPAC name is acetic acid;7-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[4-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-indol-3-yl]phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Nameacetic acid;7-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[4-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-indol-3-yl]phenyl]imidazo[1,2-a]pyridine
PubChem CID71516870
Molecular FormulaC31H31N7O2
Molecular Weight533.64 g/mol
Exact Mass533.25
IUPAC Nameacetic acid;7-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[4-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-indol-3-yl]phenyl]imidazo[1,2-a]pyridine
SMILESCC(=O)O.CC1CN=C(c2ccc3c(-c4ccc(-c5cn6ccc(C7=NCC(C)N7)cc6n5)cc4)c[nH]c3c2)N1
InChIInChI=1S/C29H27N7.C2H4O2/c1-17-13-31-28(33-17)21-7-8-23-24(15-30-25(23)11-21)19-3-5-20(6-4-19)26-16-36-10-9-22(12-27(36)35-26)29-32-14-18(2)34-29;1-2(3)4/h3-12,15-18,30H,13-14H2,1-2H3,(H,31,33)(H,32,34);1H3,(H,3,4)
InChIKeyCPSHWBPMCKHOBU-UHFFFAOYSA-N
XLogP4.72
TPSA119.17 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.64
LogP ≤ 54.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze acetic acid;7-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[4-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-indol-3-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-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[4-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-indol-3-yl]phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of acetic acid;7-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[4-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-indol-3-yl]phenyl]imidazo[1,2-a]pyridine (CID 71516870) is acetic acid;7-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[4-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-indol-3-yl]phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for acetic acid;7-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[4-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-indol-3-yl]phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for acetic acid;7-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[4-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-indol-3-yl]phenyl]imidazo[1,2-a]pyridine is CC(=O)O.CC1CN=C(c2ccc3c(-c4ccc(-c5cn6ccc(C7=NCC(C)N7)cc6n5)cc4)c[nH]c3c2)N1.
What is the InChIKey of acetic acid;7-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[4-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-indol-3-yl]phenyl]imidazo[1,2-a]pyridine?
The InChIKey is CPSHWBPMCKHOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N7.C2H4O2/c1-17-13-31-28(33-17)21-7-8-23-24(15-30-25(23)11-21)19-3-5-20(6-4-19)26-16-36-10-9-22(12-27(36)35-26)29-32-14-18(2)34-29;1-2(3)4/h3-12,15-18,30H,13-14H2,1-2H3,(H,31,33)(H,32,34);1H3,(H,3,4).
What are the key properties of acetic acid;7-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[4-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-indol-3-yl]phenyl]imidazo[1,2-a]pyridine?
acetic acid;7-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[4-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-indol-3-yl]phenyl]imidazo[1,2-a]pyridine has a molecular weight of 533.64 g/mol, XLogP of 4.72, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;7-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-2-[4-[6-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-1H-indol-3-yl]phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 71516870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).