1-[6-bromo-2-[(E)-2-imidazo[1,2-a]pyridin-2-ylethenyl]-1H-indol-3-yl]-3-(dimethylamino)propan-1-one

C22H21BrN4O — CID 129125328

IUPAC1-[6-bromo-2-[(E)-2-imidazo[1,2-a]pyridin-2-ylethenyl]-1H-indol-3-yl]-3-(dimethylamino)propan-1-one
SMILESCN(C)CCC(=O)c1c(/C=C/c2cn3ccccc3n2)[nH]c2cc(Br)ccc12
InChIInChI=1S/C22H21BrN4O/c1-26(2)12-10-20(28)22-17-8-6-15(23)13-19(17)25-18(22)9-7-16-14-27-11-4-3-5-21(27)24-16/h3-9,11,13-14,25H,10,12H2,1-2H3/b9-7+
InChIKeyQOHMDXCAHCKIOA-VQHVLOKHSA-N
MW437.34 g/mol
LogP4.88
Rot. Bonds6

About 1-[6-bromo-2-[(E)-2-imidazo[1,2-a]pyridin-2-ylethenyl]-1H-indol-3-yl]-3-(dimethylamino)propan-1-one

1-[6-bromo-2-[(E)-2-imidazo[1,2-a]pyridin-2-ylethenyl]-1H-indol-3-yl]-3-(dimethylamino)propan-1-one (PubChem CID 129125328) has the molecular formula C22H21BrN4O and a molecular weight of 437.34 g/mol. Its IUPAC name is 1-[6-bromo-2-[(E)-2-imidazo[1,2-a]pyridin-2-ylethenyl]-1H-indol-3-yl]-3-(dimethylamino)propan-1-one.

Molecular Properties

Compound Name1-[6-bromo-2-[(E)-2-imidazo[1,2-a]pyridin-2-ylethenyl]-1H-indol-3-yl]-3-(dimethylamino)propan-1-one
PubChem CID129125328
Molecular FormulaC22H21BrN4O
Molecular Weight437.34 g/mol
Exact Mass436.09
IUPAC Name1-[6-bromo-2-[(E)-2-imidazo[1,2-a]pyridin-2-ylethenyl]-1H-indol-3-yl]-3-(dimethylamino)propan-1-one
SMILESCN(C)CCC(=O)c1c(/C=C/c2cn3ccccc3n2)[nH]c2cc(Br)ccc12
InChIInChI=1S/C22H21BrN4O/c1-26(2)12-10-20(28)22-17-8-6-15(23)13-19(17)25-18(22)9-7-16-14-27-11-4-3-5-21(27)24-16/h3-9,11,13-14,25H,10,12H2,1-2H3/b9-7+
InChIKeyQOHMDXCAHCKIOA-VQHVLOKHSA-N
XLogP4.88
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.34
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-bromo-2-[(E)-2-imidazo[1,2-a]pyridin-2-ylethenyl]-1H-indol-3-yl]-3-(dimethylamino)propan-1-one?
The IUPAC name of 1-[6-bromo-2-[(E)-2-imidazo[1,2-a]pyridin-2-ylethenyl]-1H-indol-3-yl]-3-(dimethylamino)propan-1-one (CID 129125328) is 1-[6-bromo-2-[(E)-2-imidazo[1,2-a]pyridin-2-ylethenyl]-1H-indol-3-yl]-3-(dimethylamino)propan-1-one.
What is the SMILES notation for 1-[6-bromo-2-[(E)-2-imidazo[1,2-a]pyridin-2-ylethenyl]-1H-indol-3-yl]-3-(dimethylamino)propan-1-one?
The canonical SMILES for 1-[6-bromo-2-[(E)-2-imidazo[1,2-a]pyridin-2-ylethenyl]-1H-indol-3-yl]-3-(dimethylamino)propan-1-one is CN(C)CCC(=O)c1c(/C=C/c2cn3ccccc3n2)[nH]c2cc(Br)ccc12.
What is the InChIKey of 1-[6-bromo-2-[(E)-2-imidazo[1,2-a]pyridin-2-ylethenyl]-1H-indol-3-yl]-3-(dimethylamino)propan-1-one?
The InChIKey is QOHMDXCAHCKIOA-VQHVLOKHSA-N. The full InChI is InChI=1S/C22H21BrN4O/c1-26(2)12-10-20(28)22-17-8-6-15(23)13-19(17)25-18(22)9-7-16-14-27-11-4-3-5-21(27)24-16/h3-9,11,13-14,25H,10,12H2,1-2H3/b9-7+.
What are the key properties of 1-[6-bromo-2-[(E)-2-imidazo[1,2-a]pyridin-2-ylethenyl]-1H-indol-3-yl]-3-(dimethylamino)propan-1-one?
1-[6-bromo-2-[(E)-2-imidazo[1,2-a]pyridin-2-ylethenyl]-1H-indol-3-yl]-3-(dimethylamino)propan-1-one has a molecular weight of 437.34 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-bromo-2-[(E)-2-imidazo[1,2-a]pyridin-2-ylethenyl]-1H-indol-3-yl]-3-(dimethylamino)propan-1-one is sourced from PubChem (CID 129125328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).