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

C27H33N7O — CID 66549077

IUPACN-[6-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
SMILESCOCCN1CCc2nc(Nc3ncc4c5ccncc5n(C5CCC(C)CC5)c4n3)ccc2C1
InChIInChI=1S/C27H33N7O/c1-18-3-6-20(7-4-18)34-24-16-28-11-9-21(24)22-15-29-27(32-26(22)34)31-25-8-5-19-17-33(13-14-35-2)12-10-23(19)30-25/h5,8-9,11,15-16,18,20H,3-4,6-7,10,12-14,17H2,1-2H3,(H,29,30,31,32)
InChIKeyZTAGFSQIVLXCQE-UHFFFAOYSA-N
MW471.61 g/mol
LogP4.87
Rot. Bonds6

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

N-[6-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine (PubChem CID 66549077) has the molecular formula C27H33N7O and a molecular weight of 471.61 g/mol. Its IUPAC name is N-[6-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine.

Molecular Properties

Compound NameN-[6-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
PubChem CID66549077
Molecular FormulaC27H33N7O
Molecular Weight471.61 g/mol
Exact Mass471.27
IUPAC NameN-[6-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
SMILESCOCCN1CCc2nc(Nc3ncc4c5ccncc5n(C5CCC(C)CC5)c4n3)ccc2C1
InChIInChI=1S/C27H33N7O/c1-18-3-6-20(7-4-18)34-24-16-28-11-9-21(24)22-15-29-27(32-26(22)34)31-25-8-5-19-17-33(13-14-35-2)12-10-23(19)30-25/h5,8-9,11,15-16,18,20H,3-4,6-7,10,12-14,17H2,1-2H3,(H,29,30,31,32)
InChIKeyZTAGFSQIVLXCQE-UHFFFAOYSA-N
XLogP4.87
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.61
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[6-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine 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 N-[6-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?
The IUPAC name of N-[6-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine (CID 66549077) is N-[6-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine.
What is the SMILES notation for N-[6-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?
The canonical SMILES for N-[6-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine is COCCN1CCc2nc(Nc3ncc4c5ccncc5n(C5CCC(C)CC5)c4n3)ccc2C1.
What is the InChIKey of N-[6-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?
The InChIKey is ZTAGFSQIVLXCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O/c1-18-3-6-20(7-4-18)34-24-16-28-11-9-21(24)22-15-29-27(32-26(22)34)31-25-8-5-19-17-33(13-14-35-2)12-10-23(19)30-25/h5,8-9,11,15-16,18,20H,3-4,6-7,10,12-14,17H2,1-2H3,(H,29,30,31,32).
What are the key properties of N-[6-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?
N-[6-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine has a molecular weight of 471.61 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methoxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine is sourced from PubChem (CID 66549077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).