2-[1-(cyclopropylmethyl)-7-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]indol-2-yl]-3-methyl-6,7-dihydro-5H-imidazo[4,5-b][1,6]naphthyridin-8-one

C27H27N7O3 — CID 170604368

IUPAC2-[1-(cyclopropylmethyl)-7-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]indol-2-yl]-3-methyl-6,7-dihydro-5H-imidazo[4,5-b][1,6]naphthyridin-8-one
SMILESCc1nnc(CCOc2cccc3cc(-c4nc5cc6c(nc5n4C)CCNC6=O)n(CC4CC4)c23)o1
InChIInChI=1S/C27H27N7O3/c1-15-31-32-23(37-15)9-11-36-22-5-3-4-17-12-21(34(24(17)22)14-16-6-7-16)26-30-20-13-18-19(8-10-28-27(18)35)29-25(20)33(26)2/h3-5,12-13,16H,6-11,14H2,1-2H3,(H,28,35)
InChIKeyUAQQPIIGSTYEOA-UHFFFAOYSA-N
MW497.56 g/mol
LogP3.60
Rot. Bonds7

About 2-[1-(cyclopropylmethyl)-7-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]indol-2-yl]-3-methyl-6,7-dihydro-5H-imidazo[4,5-b][1,6]naphthyridin-8-one

2-[1-(cyclopropylmethyl)-7-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]indol-2-yl]-3-methyl-6,7-dihydro-5H-imidazo[4,5-b][1,6]naphthyridin-8-one (PubChem CID 170604368) has the molecular formula C27H27N7O3 and a molecular weight of 497.56 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)-7-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]indol-2-yl]-3-methyl-6,7-dihydro-5H-imidazo[4,5-b][1,6]naphthyridin-8-one.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)-7-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]indol-2-yl]-3-methyl-6,7-dihydro-5H-imidazo[4,5-b][1,6]naphthyridin-8-one
PubChem CID170604368
Molecular FormulaC27H27N7O3
Molecular Weight497.56 g/mol
Exact Mass497.22
IUPAC Name2-[1-(cyclopropylmethyl)-7-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]indol-2-yl]-3-methyl-6,7-dihydro-5H-imidazo[4,5-b][1,6]naphthyridin-8-one
SMILESCc1nnc(CCOc2cccc3cc(-c4nc5cc6c(nc5n4C)CCNC6=O)n(CC4CC4)c23)o1
InChIInChI=1S/C27H27N7O3/c1-15-31-32-23(37-15)9-11-36-22-5-3-4-17-12-21(34(24(17)22)14-16-6-7-16)26-30-20-13-18-19(8-10-28-27(18)35)29-25(20)33(26)2/h3-5,12-13,16H,6-11,14H2,1-2H3,(H,28,35)
InChIKeyUAQQPIIGSTYEOA-UHFFFAOYSA-N
XLogP3.60
TPSA112.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.56
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[1-(cyclopropylmethyl)-7-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]indol-2-yl]-3-methyl-6,7-dihydro-5H-imidazo[4,5-b][1,6]naphthyridin-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)-7-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]indol-2-yl]-3-methyl-6,7-dihydro-5H-imidazo[4,5-b][1,6]naphthyridin-8-one?
The IUPAC name of 2-[1-(cyclopropylmethyl)-7-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]indol-2-yl]-3-methyl-6,7-dihydro-5H-imidazo[4,5-b][1,6]naphthyridin-8-one (CID 170604368) is 2-[1-(cyclopropylmethyl)-7-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]indol-2-yl]-3-methyl-6,7-dihydro-5H-imidazo[4,5-b][1,6]naphthyridin-8-one.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)-7-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]indol-2-yl]-3-methyl-6,7-dihydro-5H-imidazo[4,5-b][1,6]naphthyridin-8-one?
The canonical SMILES for 2-[1-(cyclopropylmethyl)-7-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]indol-2-yl]-3-methyl-6,7-dihydro-5H-imidazo[4,5-b][1,6]naphthyridin-8-one is Cc1nnc(CCOc2cccc3cc(-c4nc5cc6c(nc5n4C)CCNC6=O)n(CC4CC4)c23)o1.
What is the InChIKey of 2-[1-(cyclopropylmethyl)-7-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]indol-2-yl]-3-methyl-6,7-dihydro-5H-imidazo[4,5-b][1,6]naphthyridin-8-one?
The InChIKey is UAQQPIIGSTYEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O3/c1-15-31-32-23(37-15)9-11-36-22-5-3-4-17-12-21(34(24(17)22)14-16-6-7-16)26-30-20-13-18-19(8-10-28-27(18)35)29-25(20)33(26)2/h3-5,12-13,16H,6-11,14H2,1-2H3,(H,28,35).
What are the key properties of 2-[1-(cyclopropylmethyl)-7-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]indol-2-yl]-3-methyl-6,7-dihydro-5H-imidazo[4,5-b][1,6]naphthyridin-8-one?
2-[1-(cyclopropylmethyl)-7-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]indol-2-yl]-3-methyl-6,7-dihydro-5H-imidazo[4,5-b][1,6]naphthyridin-8-one has a molecular weight of 497.56 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)-7-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethoxy]indol-2-yl]-3-methyl-6,7-dihydro-5H-imidazo[4,5-b][1,6]naphthyridin-8-one is sourced from PubChem (CID 170604368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).