(7R)-7-(2-bromophenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one

C17H13BrN4O — CID 51973854

IUPAC(7R)-7-(2-bromophenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESO=C1C[C@H](c2ccccc2Br)c2ncn(-c3cccnc3)c2N1
InChIInChI=1S/C17H13BrN4O/c18-14-6-2-1-5-12(14)13-8-15(23)21-17-16(13)20-10-22(17)11-4-3-7-19-9-11/h1-7,9-10,13H,8H2,(H,21,23)/t13-/m1/s1
InChIKeyHNGQWHIWHWQONM-CYBMUJFWSA-N
MW369.22 g/mol
LogP3.50
Rot. Bonds2

About (7R)-7-(2-bromophenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one

(7R)-7-(2-bromophenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (PubChem CID 51973854) has the molecular formula C17H13BrN4O and a molecular weight of 369.22 g/mol. Its IUPAC name is (7R)-7-(2-bromophenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-7-(2-bromophenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
PubChem CID51973854
Molecular FormulaC17H13BrN4O
Molecular Weight369.22 g/mol
Exact Mass368.03
IUPAC Name(7R)-7-(2-bromophenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESO=C1C[C@H](c2ccccc2Br)c2ncn(-c3cccnc3)c2N1
InChIInChI=1S/C17H13BrN4O/c18-14-6-2-1-5-12(14)13-8-15(23)21-17-16(13)20-10-22(17)11-4-3-7-19-9-11/h1-7,9-10,13H,8H2,(H,21,23)/t13-/m1/s1
InChIKeyHNGQWHIWHWQONM-CYBMUJFWSA-N
XLogP3.50
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-(2-bromophenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The IUPAC name of (7R)-7-(2-bromophenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (CID 51973854) is (7R)-7-(2-bromophenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.
What is the SMILES notation for (7R)-7-(2-bromophenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The canonical SMILES for (7R)-7-(2-bromophenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is O=C1C[C@H](c2ccccc2Br)c2ncn(-c3cccnc3)c2N1.
What is the InChIKey of (7R)-7-(2-bromophenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The InChIKey is HNGQWHIWHWQONM-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H13BrN4O/c18-14-6-2-1-5-12(14)13-8-15(23)21-17-16(13)20-10-22(17)11-4-3-7-19-9-11/h1-7,9-10,13H,8H2,(H,21,23)/t13-/m1/s1.
What are the key properties of (7R)-7-(2-bromophenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
(7R)-7-(2-bromophenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one has a molecular weight of 369.22 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(2-bromophenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is sourced from PubChem (CID 51973854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).