12-methoxy-8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-amine

C25H29N7O — CID 66549642

IUPAC12-methoxy-8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-amine
SMILESCOc1cc2c3cnc(Nc4ccc5c(n4)CCNC5)nc3n(C3CCC(C)CC3)c2cn1
InChIInChI=1S/C25H29N7O/c1-15-3-6-17(7-4-15)32-21-14-27-23(33-2)11-18(21)19-13-28-25(31-24(19)32)30-22-8-5-16-12-26-10-9-20(16)29-22/h5,8,11,13-15,17,26H,3-4,6-7,9-10,12H2,1-2H3,(H,28,29,30,31)
InChIKeyBSWDAWSAVMWHIA-UHFFFAOYSA-N
MW443.56 g/mol
LogP4.52
Rot. Bonds4

About 12-methoxy-8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-amine

12-methoxy-8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-amine (PubChem CID 66549642) has the molecular formula C25H29N7O and a molecular weight of 443.56 g/mol. Its IUPAC name is 12-methoxy-8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-amine.

Molecular Properties

Compound Name12-methoxy-8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-amine
PubChem CID66549642
Molecular FormulaC25H29N7O
Molecular Weight443.56 g/mol
Exact Mass443.24
IUPAC Name12-methoxy-8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-amine
SMILESCOc1cc2c3cnc(Nc4ccc5c(n4)CCNC5)nc3n(C3CCC(C)CC3)c2cn1
InChIInChI=1S/C25H29N7O/c1-15-3-6-17(7-4-15)32-21-14-27-23(33-2)11-18(21)19-13-28-25(31-24(19)32)30-22-8-5-16-12-26-10-9-20(16)29-22/h5,8,11,13-15,17,26H,3-4,6-7,9-10,12H2,1-2H3,(H,28,29,30,31)
InChIKeyBSWDAWSAVMWHIA-UHFFFAOYSA-N
XLogP4.52
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.56
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 12-methoxy-8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-methoxy-8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-amine?
The IUPAC name of 12-methoxy-8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-amine (CID 66549642) is 12-methoxy-8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-amine.
What is the SMILES notation for 12-methoxy-8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-amine?
The canonical SMILES for 12-methoxy-8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-amine is COc1cc2c3cnc(Nc4ccc5c(n4)CCNC5)nc3n(C3CCC(C)CC3)c2cn1.
What is the InChIKey of 12-methoxy-8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-amine?
The InChIKey is BSWDAWSAVMWHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O/c1-15-3-6-17(7-4-15)32-21-14-27-23(33-2)11-18(21)19-13-28-25(31-24(19)32)30-22-8-5-16-12-26-10-9-20(16)29-22/h5,8,11,13-15,17,26H,3-4,6-7,9-10,12H2,1-2H3,(H,28,29,30,31).
What are the key properties of 12-methoxy-8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-amine?
12-methoxy-8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-amine has a molecular weight of 443.56 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methoxy-8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaen-5-amine is sourced from PubChem (CID 66549642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).