2-[5-bromo-1-(cyclopropylmethyl)indol-2-yl]-7-ethenyl-3-methylimidazo[1,2-a]pyridine

C22H20BrN3 — CID 138579077

IUPAC2-[5-bromo-1-(cyclopropylmethyl)indol-2-yl]-7-ethenyl-3-methylimidazo[1,2-a]pyridine
SMILESC=Cc1ccn2c(C)c(-c3cc4cc(Br)ccc4n3CC3CC3)nc2c1
InChIInChI=1S/C22H20BrN3/c1-3-15-8-9-25-14(2)22(24-21(25)10-15)20-12-17-11-18(23)6-7-19(17)26(20)13-16-4-5-16/h3,6-12,16H,1,4-5,13H2,2H3
InChIKeyUWRLHKHOTYXPDH-UHFFFAOYSA-N
MW406.33 g/mol
LogP6.08
Rot. Bonds4

About 2-[5-bromo-1-(cyclopropylmethyl)indol-2-yl]-7-ethenyl-3-methylimidazo[1,2-a]pyridine

2-[5-bromo-1-(cyclopropylmethyl)indol-2-yl]-7-ethenyl-3-methylimidazo[1,2-a]pyridine (PubChem CID 138579077) has the molecular formula C22H20BrN3 and a molecular weight of 406.33 g/mol. Its IUPAC name is 2-[5-bromo-1-(cyclopropylmethyl)indol-2-yl]-7-ethenyl-3-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[5-bromo-1-(cyclopropylmethyl)indol-2-yl]-7-ethenyl-3-methylimidazo[1,2-a]pyridine
PubChem CID138579077
Molecular FormulaC22H20BrN3
Molecular Weight406.33 g/mol
Exact Mass405.08
IUPAC Name2-[5-bromo-1-(cyclopropylmethyl)indol-2-yl]-7-ethenyl-3-methylimidazo[1,2-a]pyridine
SMILESC=Cc1ccn2c(C)c(-c3cc4cc(Br)ccc4n3CC3CC3)nc2c1
InChIInChI=1S/C22H20BrN3/c1-3-15-8-9-25-14(2)22(24-21(25)10-15)20-12-17-11-18(23)6-7-19(17)26(20)13-16-4-5-16/h3,6-12,16H,1,4-5,13H2,2H3
InChIKeyUWRLHKHOTYXPDH-UHFFFAOYSA-N
XLogP6.08
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.33
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-5-fluoroindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 138578778
(3-aminopiperidin-1-yl)-[2-[1-(cyclopropylmethyl)-7-methylindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 138560570
(3R)-1-[1-[2-[1-(cyclopropylmethyl)-7-ethylindol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine
CID 138579218
5-bromo-1-(cyclobutylmethyl)indole
CID 116619741
1-[1-[2-[1-(cyclopropylmethyl)indol-2-yl]-3-propylimidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine
CID 138578765
1-(cyclopropylmethyl)-2-ethenyl-7-methylindole
CID 138503156
1-[1-[3-methyl-2-[1-(pyridin-3-ylmethyl)indol-2-yl]imidazo[1,2-a]pyridin-7-yl]ethenyl]piperidin-3-amine
CID 138578606
N-[2-[7-[(2S,5R)-5-amino-2-methylpiperidine-1-carbonyl]-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-N-(difluoromethyl)methanesulfonamide
CID 167135439
(3-aminopiperidin-1-yl)-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 155011359
[(3R)-3-aminopiperidin-1-yl]-[2-(1-ethyl-6-fluoroindol-2-yl)-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
CID 138561279
1-(cyclopropylmethyl)-2-ethenylindole
CID 138503170
5-bromo-1-(oxan-4-ylmethyl)indole
CID 116619540

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-1-(cyclopropylmethyl)indol-2-yl]-7-ethenyl-3-methylimidazo[1,2-a]pyridine?
The IUPAC name of 2-[5-bromo-1-(cyclopropylmethyl)indol-2-yl]-7-ethenyl-3-methylimidazo[1,2-a]pyridine (CID 138579077) is 2-[5-bromo-1-(cyclopropylmethyl)indol-2-yl]-7-ethenyl-3-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[5-bromo-1-(cyclopropylmethyl)indol-2-yl]-7-ethenyl-3-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[5-bromo-1-(cyclopropylmethyl)indol-2-yl]-7-ethenyl-3-methylimidazo[1,2-a]pyridine is C=Cc1ccn2c(C)c(-c3cc4cc(Br)ccc4n3CC3CC3)nc2c1.
What is the InChIKey of 2-[5-bromo-1-(cyclopropylmethyl)indol-2-yl]-7-ethenyl-3-methylimidazo[1,2-a]pyridine?
The InChIKey is UWRLHKHOTYXPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN3/c1-3-15-8-9-25-14(2)22(24-21(25)10-15)20-12-17-11-18(23)6-7-19(17)26(20)13-16-4-5-16/h3,6-12,16H,1,4-5,13H2,2H3.
What are the key properties of 2-[5-bromo-1-(cyclopropylmethyl)indol-2-yl]-7-ethenyl-3-methylimidazo[1,2-a]pyridine?
2-[5-bromo-1-(cyclopropylmethyl)indol-2-yl]-7-ethenyl-3-methylimidazo[1,2-a]pyridine has a molecular weight of 406.33 g/mol, XLogP of 6.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-1-(cyclopropylmethyl)indol-2-yl]-7-ethenyl-3-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 138579077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).