6-bromo-2-(5-methyl-1H-imidazol-4-yl)-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridin-3-amine

C17H21BrN6O — CID 155522400

IUPAC6-bromo-2-(5-methyl-1H-imidazol-4-yl)-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1[nH]cnc1-c1nc2ccc(Br)cn2c1NCCN1CCOCC1
InChIInChI=1S/C17H21BrN6O/c1-12-15(21-11-20-12)16-17(19-4-5-23-6-8-25-9-7-23)24-10-13(18)2-3-14(24)22-16/h2-3,10-11,19H,4-9H2,1H3,(H,20,21)
InChIKeyRTQDSRLMBBWLDQ-UHFFFAOYSA-N
MW405.30 g/mol
LogP2.54
Rot. Bonds5

About 6-bromo-2-(5-methyl-1H-imidazol-4-yl)-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridin-3-amine

6-bromo-2-(5-methyl-1H-imidazol-4-yl)-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 155522400) has the molecular formula C17H21BrN6O and a molecular weight of 405.30 g/mol. Its IUPAC name is 6-bromo-2-(5-methyl-1H-imidazol-4-yl)-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-2-(5-methyl-1H-imidazol-4-yl)-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID155522400
Molecular FormulaC17H21BrN6O
Molecular Weight405.30 g/mol
Exact Mass404.10
IUPAC Name6-bromo-2-(5-methyl-1H-imidazol-4-yl)-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1[nH]cnc1-c1nc2ccc(Br)cn2c1NCCN1CCOCC1
InChIInChI=1S/C17H21BrN6O/c1-12-15(21-11-20-12)16-17(19-4-5-23-6-8-25-9-7-23)24-10-13(18)2-3-14(24)22-16/h2-3,10-11,19H,4-9H2,1H3,(H,20,21)
InChIKeyRTQDSRLMBBWLDQ-UHFFFAOYSA-N
XLogP2.54
TPSA70.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.30
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(5-methyl-1H-imidazol-4-yl)-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 6-bromo-2-(5-methyl-1H-imidazol-4-yl)-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridin-3-amine (CID 155522400) is 6-bromo-2-(5-methyl-1H-imidazol-4-yl)-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 6-bromo-2-(5-methyl-1H-imidazol-4-yl)-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 6-bromo-2-(5-methyl-1H-imidazol-4-yl)-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridin-3-amine is Cc1[nH]cnc1-c1nc2ccc(Br)cn2c1NCCN1CCOCC1.
What is the InChIKey of 6-bromo-2-(5-methyl-1H-imidazol-4-yl)-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is RTQDSRLMBBWLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN6O/c1-12-15(21-11-20-12)16-17(19-4-5-23-6-8-25-9-7-23)24-10-13(18)2-3-14(24)22-16/h2-3,10-11,19H,4-9H2,1H3,(H,20,21).
What are the key properties of 6-bromo-2-(5-methyl-1H-imidazol-4-yl)-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridin-3-amine?
6-bromo-2-(5-methyl-1H-imidazol-4-yl)-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 405.30 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(5-methyl-1H-imidazol-4-yl)-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 155522400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).