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

C17H12Cl2N4O — CID 51974007

IUPAC(7R)-7-(2,3-dichlorophenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESO=C1C[C@H](c2cccc(Cl)c2Cl)c2ncn(-c3cccnc3)c2N1
InChIInChI=1S/C17H12Cl2N4O/c18-13-5-1-4-11(15(13)19)12-7-14(24)22-17-16(12)21-9-23(17)10-3-2-6-20-8-10/h1-6,8-9,12H,7H2,(H,22,24)/t12-/m1/s1
InChIKeyYOSPERTZJHAVHE-GFCCVEGCSA-N
MW359.22 g/mol
LogP4.05
Rot. Bonds2

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

(7R)-7-(2,3-dichlorophenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (PubChem CID 51974007) has the molecular formula C17H12Cl2N4O and a molecular weight of 359.22 g/mol. Its IUPAC name is (7R)-7-(2,3-dichlorophenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-7-(2,3-dichlorophenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
PubChem CID51974007
Molecular FormulaC17H12Cl2N4O
Molecular Weight359.22 g/mol
Exact Mass358.04
IUPAC Name(7R)-7-(2,3-dichlorophenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESO=C1C[C@H](c2cccc(Cl)c2Cl)c2ncn(-c3cccnc3)c2N1
InChIInChI=1S/C17H12Cl2N4O/c18-13-5-1-4-11(15(13)19)12-7-14(24)22-17-16(12)21-9-23(17)10-3-2-6-20-8-10/h1-6,8-9,12H,7H2,(H,22,24)/t12-/m1/s1
InChIKeyYOSPERTZJHAVHE-GFCCVEGCSA-N
XLogP4.05
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-(2,3-dichlorophenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The IUPAC name of (7R)-7-(2,3-dichlorophenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (CID 51974007) is (7R)-7-(2,3-dichlorophenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.
What is the SMILES notation for (7R)-7-(2,3-dichlorophenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The canonical SMILES for (7R)-7-(2,3-dichlorophenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is O=C1C[C@H](c2cccc(Cl)c2Cl)c2ncn(-c3cccnc3)c2N1.
What is the InChIKey of (7R)-7-(2,3-dichlorophenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The InChIKey is YOSPERTZJHAVHE-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H12Cl2N4O/c18-13-5-1-4-11(15(13)19)12-7-14(24)22-17-16(12)21-9-23(17)10-3-2-6-20-8-10/h1-6,8-9,12H,7H2,(H,22,24)/t12-/m1/s1.
What are the key properties of (7R)-7-(2,3-dichlorophenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
(7R)-7-(2,3-dichlorophenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one has a molecular weight of 359.22 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(2,3-dichlorophenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is sourced from PubChem (CID 51974007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).