6-[8-chloro-13-[(6-methoxy-2-pyridinyl)methyl]-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine

C24H20ClF3N6O2 — CID 165405908

IUPAC6-[8-chloro-13-[(6-methoxy-2-pyridinyl)methyl]-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCOc1cccc(CN2CCOc3c(Cl)c(-c4nc(N)cc(C)c4C(F)(F)F)cc4ncnc2c34)n1
InChIInChI=1S/C24H20ClF3N6O2/c1-12-8-16(29)33-21(19(12)24(26,27)28)14-9-15-18-22(20(14)25)36-7-6-34(23(18)31-11-30-15)10-13-4-3-5-17(32-13)35-2/h3-5,8-9,11H,6-7,10H2,1-2H3,(H2,29,33)
InChIKeyOLWQZHLBIXOUJJ-UHFFFAOYSA-N
MW516.91 g/mol
LogP5.06
Rot. Bonds4

About 6-[8-chloro-13-[(6-methoxy-2-pyridinyl)methyl]-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine

6-[8-chloro-13-[(6-methoxy-2-pyridinyl)methyl]-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 165405908) has the molecular formula C24H20ClF3N6O2 and a molecular weight of 516.91 g/mol. Its IUPAC name is 6-[8-chloro-13-[(6-methoxy-2-pyridinyl)methyl]-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-[8-chloro-13-[(6-methoxy-2-pyridinyl)methyl]-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine
PubChem CID165405908
Molecular FormulaC24H20ClF3N6O2
Molecular Weight516.91 g/mol
Exact Mass516.13
IUPAC Name6-[8-chloro-13-[(6-methoxy-2-pyridinyl)methyl]-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCOc1cccc(CN2CCOc3c(Cl)c(-c4nc(N)cc(C)c4C(F)(F)F)cc4ncnc2c34)n1
InChIInChI=1S/C24H20ClF3N6O2/c1-12-8-16(29)33-21(19(12)24(26,27)28)14-9-15-18-22(20(14)25)36-7-6-34(23(18)31-11-30-15)10-13-4-3-5-17(32-13)35-2/h3-5,8-9,11H,6-7,10H2,1-2H3,(H2,29,33)
InChIKeyOLWQZHLBIXOUJJ-UHFFFAOYSA-N
XLogP5.06
TPSA99.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.91
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[8-chloro-13-[(6-methoxy-2-pyridinyl)methyl]-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[8-chloro-13-[(6-methoxy-2-pyridinyl)methyl]-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-[8-chloro-13-[(6-methoxy-2-pyridinyl)methyl]-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine (CID 165405908) is 6-[8-chloro-13-[(6-methoxy-2-pyridinyl)methyl]-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-[8-chloro-13-[(6-methoxy-2-pyridinyl)methyl]-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-[8-chloro-13-[(6-methoxy-2-pyridinyl)methyl]-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine is COc1cccc(CN2CCOc3c(Cl)c(-c4nc(N)cc(C)c4C(F)(F)F)cc4ncnc2c34)n1.
What is the InChIKey of 6-[8-chloro-13-[(6-methoxy-2-pyridinyl)methyl]-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is OLWQZHLBIXOUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF3N6O2/c1-12-8-16(29)33-21(19(12)24(26,27)28)14-9-15-18-22(20(14)25)36-7-6-34(23(18)31-11-30-15)10-13-4-3-5-17(32-13)35-2/h3-5,8-9,11H,6-7,10H2,1-2H3,(H2,29,33).
What are the key properties of 6-[8-chloro-13-[(6-methoxy-2-pyridinyl)methyl]-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine?
6-[8-chloro-13-[(6-methoxy-2-pyridinyl)methyl]-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 516.91 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[8-chloro-13-[(6-methoxy-2-pyridinyl)methyl]-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 165405908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).