[4-amino-6-(3-bromophenyl)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone;hydrochloride

C19H20BrClN4O2 — CID 69183623

IUPAC[4-amino-6-(3-bromophenyl)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone;hydrochloride
SMILESCl.Cn1ccc2c(N)nc(-c3cccc(Br)c3)c(C(=O)N3CCOCC3)c21
InChIInChI=1S/C19H19BrN4O2.ClH/c1-23-6-5-14-17(23)15(19(25)24-7-9-26-10-8-24)16(22-18(14)21)12-3-2-4-13(20)11-12;/h2-6,11H,7-10H2,1H3,(H2,21,22);1H
InChIKeyRWINYSOWCADMRY-UHFFFAOYSA-N
MW451.75 g/mol
LogP3.48
Rot. Bonds2

About [4-amino-6-(3-bromophenyl)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone;hydrochloride

[4-amino-6-(3-bromophenyl)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone;hydrochloride (PubChem CID 69183623) has the molecular formula C19H20BrClN4O2 and a molecular weight of 451.75 g/mol. Its IUPAC name is [4-amino-6-(3-bromophenyl)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-amino-6-(3-bromophenyl)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone;hydrochloride
PubChem CID69183623
Molecular FormulaC19H20BrClN4O2
Molecular Weight451.75 g/mol
Exact Mass450.05
IUPAC Name[4-amino-6-(3-bromophenyl)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone;hydrochloride
SMILESCl.Cn1ccc2c(N)nc(-c3cccc(Br)c3)c(C(=O)N3CCOCC3)c21
InChIInChI=1S/C19H19BrN4O2.ClH/c1-23-6-5-14-17(23)15(19(25)24-7-9-26-10-8-24)16(22-18(14)21)12-3-2-4-13(20)11-12;/h2-6,11H,7-10H2,1H3,(H2,21,22);1H
InChIKeyRWINYSOWCADMRY-UHFFFAOYSA-N
XLogP3.48
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.75
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-amino-6-(3-bromophenyl)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone;hydrochloride?
The IUPAC name of [4-amino-6-(3-bromophenyl)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone;hydrochloride (CID 69183623) is [4-amino-6-(3-bromophenyl)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone;hydrochloride.
What is the SMILES notation for [4-amino-6-(3-bromophenyl)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone;hydrochloride?
The canonical SMILES for [4-amino-6-(3-bromophenyl)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone;hydrochloride is Cl.Cn1ccc2c(N)nc(-c3cccc(Br)c3)c(C(=O)N3CCOCC3)c21.
What is the InChIKey of [4-amino-6-(3-bromophenyl)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone;hydrochloride?
The InChIKey is RWINYSOWCADMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O2.ClH/c1-23-6-5-14-17(23)15(19(25)24-7-9-26-10-8-24)16(22-18(14)21)12-3-2-4-13(20)11-12;/h2-6,11H,7-10H2,1H3,(H2,21,22);1H.
What are the key properties of [4-amino-6-(3-bromophenyl)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone;hydrochloride?
[4-amino-6-(3-bromophenyl)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone;hydrochloride has a molecular weight of 451.75 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-6-(3-bromophenyl)-1-methylpyrrolo[3,2-c]pyridin-7-yl]-morpholin-4-ylmethanone;hydrochloride is sourced from PubChem (CID 69183623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).