(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone;ethane

C17H17Cl2N5O — CID 177021783

IUPAC(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone;ethane
SMILESCC.O=C(c1nc2ncc(Cl)c(Cl)c2[nH]1)N1CCc2ncccc2C1
InChIInChI=1S/C15H11Cl2N5O.C2H6/c16-9-6-19-13-12(11(9)17)20-14(21-13)15(23)22-5-3-10-8(7-22)2-1-4-18-10;1-2/h1-2,4,6H,3,5,7H2,(H,19,20,21);1-2H3
InChIKeyBQOATSXWCVDNAB-UHFFFAOYSA-N
MW378.26 g/mol
LogP3.88
Rot. Bonds1

About (6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone;ethane

(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone;ethane (PubChem CID 177021783) has the molecular formula C17H17Cl2N5O and a molecular weight of 378.26 g/mol. Its IUPAC name is (6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone;ethane.

Molecular Properties

Compound Name(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone;ethane
PubChem CID177021783
Molecular FormulaC17H17Cl2N5O
Molecular Weight378.26 g/mol
Exact Mass377.08
IUPAC Name(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone;ethane
SMILESCC.O=C(c1nc2ncc(Cl)c(Cl)c2[nH]1)N1CCc2ncccc2C1
InChIInChI=1S/C15H11Cl2N5O.C2H6/c16-9-6-19-13-12(11(9)17)20-14(21-13)15(23)22-5-3-10-8(7-22)2-1-4-18-10;1-2/h1-2,4,6H,3,5,7H2,(H,19,20,21);1-2H3
InChIKeyBQOATSXWCVDNAB-UHFFFAOYSA-N
XLogP3.88
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone;ethane?
The IUPAC name of (6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone;ethane (CID 177021783) is (6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone;ethane.
What is the SMILES notation for (6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone;ethane?
The canonical SMILES for (6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone;ethane is CC.O=C(c1nc2ncc(Cl)c(Cl)c2[nH]1)N1CCc2ncccc2C1.
What is the InChIKey of (6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone;ethane?
The InChIKey is BQOATSXWCVDNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N5O.C2H6/c16-9-6-19-13-12(11(9)17)20-14(21-13)15(23)22-5-3-10-8(7-22)2-1-4-18-10;1-2/h1-2,4,6H,3,5,7H2,(H,19,20,21);1-2H3.
What are the key properties of (6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone;ethane?
(6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone;ethane has a molecular weight of 378.26 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dichloro-1H-imidazo[4,5-b]pyridin-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone;ethane is sourced from PubChem (CID 177021783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).