[4-amino-6-(3-bromophenyl)-1-methylimidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone

C18H18BrN5O2 — CID 91590495

IUPAC[4-amino-6-(3-bromophenyl)-1-methylimidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone
SMILESCn1cnc2c(N)nc(-c3cccc(Br)c3)c(C(=O)N3CCOCC3)c21
InChIInChI=1S/C18H18BrN5O2/c1-23-10-21-15-16(23)13(18(25)24-5-7-26-8-6-24)14(22-17(15)20)11-3-2-4-12(19)9-11/h2-4,9-10H,5-8H2,1H3,(H2,20,22)
InChIKeyLPQJPHGHOHXCML-UHFFFAOYSA-N
MW416.28 g/mol
LogP2.45
Rot. Bonds2

About [4-amino-6-(3-bromophenyl)-1-methylimidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone

[4-amino-6-(3-bromophenyl)-1-methylimidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone (PubChem CID 91590495) has the molecular formula C18H18BrN5O2 and a molecular weight of 416.28 g/mol. Its IUPAC name is [4-amino-6-(3-bromophenyl)-1-methylimidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-amino-6-(3-bromophenyl)-1-methylimidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone
PubChem CID91590495
Molecular FormulaC18H18BrN5O2
Molecular Weight416.28 g/mol
Exact Mass415.06
IUPAC Name[4-amino-6-(3-bromophenyl)-1-methylimidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone
SMILESCn1cnc2c(N)nc(-c3cccc(Br)c3)c(C(=O)N3CCOCC3)c21
InChIInChI=1S/C18H18BrN5O2/c1-23-10-21-15-16(23)13(18(25)24-5-7-26-8-6-24)14(22-17(15)20)11-3-2-4-12(19)9-11/h2-4,9-10H,5-8H2,1H3,(H2,20,22)
InChIKeyLPQJPHGHOHXCML-UHFFFAOYSA-N
XLogP2.45
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-amino-6-(3-bromophenyl)-1-methylimidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-amino-6-(3-bromophenyl)-1-methylimidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone (CID 91590495) is [4-amino-6-(3-bromophenyl)-1-methylimidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-amino-6-(3-bromophenyl)-1-methylimidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-amino-6-(3-bromophenyl)-1-methylimidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone is Cn1cnc2c(N)nc(-c3cccc(Br)c3)c(C(=O)N3CCOCC3)c21.
What is the InChIKey of [4-amino-6-(3-bromophenyl)-1-methylimidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone?
The InChIKey is LPQJPHGHOHXCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN5O2/c1-23-10-21-15-16(23)13(18(25)24-5-7-26-8-6-24)14(22-17(15)20)11-3-2-4-12(19)9-11/h2-4,9-10H,5-8H2,1H3,(H2,20,22).
What are the key properties of [4-amino-6-(3-bromophenyl)-1-methylimidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone?
[4-amino-6-(3-bromophenyl)-1-methylimidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone has a molecular weight of 416.28 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-6-(3-bromophenyl)-1-methylimidazo[4,5-c]pyridin-7-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 91590495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).