2-(diethylamino)-1-[2-[[8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone

C30H38N8O — CID 66549839

IUPAC2-(diethylamino)-1-[2-[[8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
SMILESCCN(CC)CC(=O)N1CCc2nc(Nc3ncc4c5ccncc5n(C5CCC(C)CC5)c4n3)ccc2C1
InChIInChI=1S/C30H38N8O/c1-4-36(5-2)19-28(39)37-15-13-25-21(18-37)8-11-27(33-25)34-30-32-16-24-23-12-14-31-17-26(23)38(29(24)35-30)22-9-6-20(3)7-10-22/h8,11-12,14,16-17,20,22H,4-7,9-10,13,15,18-19H2,1-3H3,(H,32,33,34,35)
InChIKeyHWTKYDKRIQZVAQ-UHFFFAOYSA-N
MW526.69 g/mol
LogP5.10
Rot. Bonds7

About 2-(diethylamino)-1-[2-[[8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone

2-(diethylamino)-1-[2-[[8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone (PubChem CID 66549839) has the molecular formula C30H38N8O and a molecular weight of 526.69 g/mol. Its IUPAC name is 2-(diethylamino)-1-[2-[[8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone.

Molecular Properties

Compound Name2-(diethylamino)-1-[2-[[8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
PubChem CID66549839
Molecular FormulaC30H38N8O
Molecular Weight526.69 g/mol
Exact Mass526.32
IUPAC Name2-(diethylamino)-1-[2-[[8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
SMILESCCN(CC)CC(=O)N1CCc2nc(Nc3ncc4c5ccncc5n(C5CCC(C)CC5)c4n3)ccc2C1
InChIInChI=1S/C30H38N8O/c1-4-36(5-2)19-28(39)37-15-13-25-21(18-37)8-11-27(33-25)34-30-32-16-24-23-12-14-31-17-26(23)38(29(24)35-30)22-9-6-20(3)7-10-22/h8,11-12,14,16-17,20,22H,4-7,9-10,13,15,18-19H2,1-3H3,(H,32,33,34,35)
InChIKeyHWTKYDKRIQZVAQ-UHFFFAOYSA-N
XLogP5.10
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.69
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(diethylamino)-1-[2-[[8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone 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 2-(diethylamino)-1-[2-[[8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone?
The IUPAC name of 2-(diethylamino)-1-[2-[[8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone (CID 66549839) is 2-(diethylamino)-1-[2-[[8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone.
What is the SMILES notation for 2-(diethylamino)-1-[2-[[8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone?
The canonical SMILES for 2-(diethylamino)-1-[2-[[8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone is CCN(CC)CC(=O)N1CCc2nc(Nc3ncc4c5ccncc5n(C5CCC(C)CC5)c4n3)ccc2C1.
What is the InChIKey of 2-(diethylamino)-1-[2-[[8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone?
The InChIKey is HWTKYDKRIQZVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N8O/c1-4-36(5-2)19-28(39)37-15-13-25-21(18-37)8-11-27(33-25)34-30-32-16-24-23-12-14-31-17-26(23)38(29(24)35-30)22-9-6-20(3)7-10-22/h8,11-12,14,16-17,20,22H,4-7,9-10,13,15,18-19H2,1-3H3,(H,32,33,34,35).
What are the key properties of 2-(diethylamino)-1-[2-[[8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone?
2-(diethylamino)-1-[2-[[8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone has a molecular weight of 526.69 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-[2-[[8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone is sourced from PubChem (CID 66549839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).