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

C16H12BrN3OS — CID 51972237

IUPAC(7R)-3-(3-bromophenyl)-7-thiophen-2-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESO=C1C[C@@H](c2cccs2)c2ncn(-c3cccc(Br)c3)c2N1
InChIInChI=1S/C16H12BrN3OS/c17-10-3-1-4-11(7-10)20-9-18-15-12(13-5-2-6-22-13)8-14(21)19-16(15)20/h1-7,9,12H,8H2,(H,19,21)/t12-/m0/s1
InChIKeyUSDBTBQDNFAECV-LBPRGKRZSA-N
MW374.26 g/mol
LogP4.17
Rot. Bonds2

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

(7R)-3-(3-bromophenyl)-7-thiophen-2-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (PubChem CID 51972237) has the molecular formula C16H12BrN3OS and a molecular weight of 374.26 g/mol. Its IUPAC name is (7R)-3-(3-bromophenyl)-7-thiophen-2-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-3-(3-bromophenyl)-7-thiophen-2-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
PubChem CID51972237
Molecular FormulaC16H12BrN3OS
Molecular Weight374.26 g/mol
Exact Mass372.99
IUPAC Name(7R)-3-(3-bromophenyl)-7-thiophen-2-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESO=C1C[C@@H](c2cccs2)c2ncn(-c3cccc(Br)c3)c2N1
InChIInChI=1S/C16H12BrN3OS/c17-10-3-1-4-11(7-10)20-9-18-15-12(13-5-2-6-22-13)8-14(21)19-16(15)20/h1-7,9,12H,8H2,(H,19,21)/t12-/m0/s1
InChIKeyUSDBTBQDNFAECV-LBPRGKRZSA-N
XLogP4.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.26
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7R)-3-(3-bromophenyl)-7-thiophen-2-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The IUPAC name of (7R)-3-(3-bromophenyl)-7-thiophen-2-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (CID 51972237) is (7R)-3-(3-bromophenyl)-7-thiophen-2-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.
What is the SMILES notation for (7R)-3-(3-bromophenyl)-7-thiophen-2-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The canonical SMILES for (7R)-3-(3-bromophenyl)-7-thiophen-2-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is O=C1C[C@@H](c2cccs2)c2ncn(-c3cccc(Br)c3)c2N1.
What is the InChIKey of (7R)-3-(3-bromophenyl)-7-thiophen-2-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The InChIKey is USDBTBQDNFAECV-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H12BrN3OS/c17-10-3-1-4-11(7-10)20-9-18-15-12(13-5-2-6-22-13)8-14(21)19-16(15)20/h1-7,9,12H,8H2,(H,19,21)/t12-/m0/s1.
What are the key properties of (7R)-3-(3-bromophenyl)-7-thiophen-2-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
(7R)-3-(3-bromophenyl)-7-thiophen-2-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one has a molecular weight of 374.26 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-3-(3-bromophenyl)-7-thiophen-2-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is sourced from PubChem (CID 51972237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).