8-(4-methylcyclohexyl)-N-[6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine

C27H30F3N7 — CID 66548891

IUPAC8-(4-methylcyclohexyl)-N-[6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
SMILESCC1CCC(n2c3cnccc3c3cnc(Nc4ccc5c(n4)CCN(CCC(F)(F)F)C5)nc32)CC1
InChIInChI=1S/C27H30F3N7/c1-17-2-5-19(6-3-17)37-23-15-31-11-8-20(23)21-14-32-26(35-25(21)37)34-24-7-4-18-16-36(12-9-22(18)33-24)13-10-27(28,29)30/h4,7-8,11,14-15,17,19H,2-3,5-6,9-10,12-13,16H2,1H3,(H,32,33,34,35)
InChIKeyBFQCPWXSXBFJMD-UHFFFAOYSA-N
MW509.58 g/mol
LogP6.18
Rot. Bonds5

About 8-(4-methylcyclohexyl)-N-[6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine

8-(4-methylcyclohexyl)-N-[6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine (PubChem CID 66548891) has the molecular formula C27H30F3N7 and a molecular weight of 509.58 g/mol. Its IUPAC name is 8-(4-methylcyclohexyl)-N-[6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine.

Molecular Properties

Compound Name8-(4-methylcyclohexyl)-N-[6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
PubChem CID66548891
Molecular FormulaC27H30F3N7
Molecular Weight509.58 g/mol
Exact Mass509.25
IUPAC Name8-(4-methylcyclohexyl)-N-[6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
SMILESCC1CCC(n2c3cnccc3c3cnc(Nc4ccc5c(n4)CCN(CCC(F)(F)F)C5)nc32)CC1
InChIInChI=1S/C27H30F3N7/c1-17-2-5-19(6-3-17)37-23-15-31-11-8-20(23)21-14-32-26(35-25(21)37)34-24-7-4-18-16-36(12-9-22(18)33-24)13-10-27(28,29)30/h4,7-8,11,14-15,17,19H,2-3,5-6,9-10,12-13,16H2,1H3,(H,32,33,34,35)
InChIKeyBFQCPWXSXBFJMD-UHFFFAOYSA-N
XLogP6.18
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.58
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-(4-methylcyclohexyl)-N-[6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methylcyclohexyl)-N-[6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-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 8-(4-methylcyclohexyl)-N-[6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine (CID 66548891) is 8-(4-methylcyclohexyl)-N-[6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-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 8-(4-methylcyclohexyl)-N-[6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-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 8-(4-methylcyclohexyl)-N-[6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine is CC1CCC(n2c3cnccc3c3cnc(Nc4ccc5c(n4)CCN(CCC(F)(F)F)C5)nc32)CC1.
What is the InChIKey of 8-(4-methylcyclohexyl)-N-[6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?
The InChIKey is BFQCPWXSXBFJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F3N7/c1-17-2-5-19(6-3-17)37-23-15-31-11-8-20(23)21-14-32-26(35-25(21)37)34-24-7-4-18-16-36(12-9-22(18)33-24)13-10-27(28,29)30/h4,7-8,11,14-15,17,19H,2-3,5-6,9-10,12-13,16H2,1H3,(H,32,33,34,35).
What are the key properties of 8-(4-methylcyclohexyl)-N-[6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?
8-(4-methylcyclohexyl)-N-[6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-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 509.58 g/mol, XLogP of 6.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylcyclohexyl)-N-[6-(3,3,3-trifluoropropyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-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 66548891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).