5-bromo-4-[7-ethyl-2-(4-methylcyclohexa-1,3-dien-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

C20H20BrN5 — CID 142198992

IUPAC5-bromo-4-[7-ethyl-2-(4-methylcyclohexa-1,3-dien-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCCc1ccn2c(-c3nc(N)ncc3Br)c(C3=CC=C(C)CC3)nc2c1
InChIInChI=1S/C20H20BrN5/c1-3-13-8-9-26-16(10-13)24-17(14-6-4-12(2)5-7-14)19(26)18-15(21)11-23-20(22)25-18/h4,6,8-11H,3,5,7H2,1-2H3,(H2,22,23,25)
InChIKeyFNVZLZGRBQLQQU-UHFFFAOYSA-N
MW410.32 g/mol
LogP4.82
Rot. Bonds3

About 5-bromo-4-[7-ethyl-2-(4-methylcyclohexa-1,3-dien-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

5-bromo-4-[7-ethyl-2-(4-methylcyclohexa-1,3-dien-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 142198992) has the molecular formula C20H20BrN5 and a molecular weight of 410.32 g/mol. Its IUPAC name is 5-bromo-4-[7-ethyl-2-(4-methylcyclohexa-1,3-dien-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-[7-ethyl-2-(4-methylcyclohexa-1,3-dien-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
PubChem CID142198992
Molecular FormulaC20H20BrN5
Molecular Weight410.32 g/mol
Exact Mass409.09
IUPAC Name5-bromo-4-[7-ethyl-2-(4-methylcyclohexa-1,3-dien-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCCc1ccn2c(-c3nc(N)ncc3Br)c(C3=CC=C(C)CC3)nc2c1
InChIInChI=1S/C20H20BrN5/c1-3-13-8-9-26-16(10-13)24-17(14-6-4-12(2)5-7-14)19(26)18-15(21)11-23-20(22)25-18/h4,6,8-11H,3,5,7H2,1-2H3,(H2,22,23,25)
InChIKeyFNVZLZGRBQLQQU-UHFFFAOYSA-N
XLogP4.82
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.32
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[7-ethyl-2-(4-methylcyclohexa-1,3-dien-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-[7-ethyl-2-(4-methylcyclohexa-1,3-dien-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (CID 142198992) is 5-bromo-4-[7-ethyl-2-(4-methylcyclohexa-1,3-dien-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-[7-ethyl-2-(4-methylcyclohexa-1,3-dien-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-[7-ethyl-2-(4-methylcyclohexa-1,3-dien-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is CCc1ccn2c(-c3nc(N)ncc3Br)c(C3=CC=C(C)CC3)nc2c1.
What is the InChIKey of 5-bromo-4-[7-ethyl-2-(4-methylcyclohexa-1,3-dien-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is FNVZLZGRBQLQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN5/c1-3-13-8-9-26-16(10-13)24-17(14-6-4-12(2)5-7-14)19(26)18-15(21)11-23-20(22)25-18/h4,6,8-11H,3,5,7H2,1-2H3,(H2,22,23,25).
What are the key properties of 5-bromo-4-[7-ethyl-2-(4-methylcyclohexa-1,3-dien-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
5-bromo-4-[7-ethyl-2-(4-methylcyclohexa-1,3-dien-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 410.32 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[7-ethyl-2-(4-methylcyclohexa-1,3-dien-1-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 142198992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).