6-[6-chloro-13-[[5-(methylamino)-3-pyridinyl]methyl]-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine

C24H21ClF3N7O — CID 174189572

IUPAC6-[6-chloro-13-[[5-(methylamino)-3-pyridinyl]methyl]-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCNc1cncc(CN2C=COc3cc(-c4nc(N)cc(C)c4C(F)(F)F)c(Cl)c4c3C2=NCN4)c1
InChIInChI=1S/C24H21ClF3N7O/c1-12-5-17(29)34-21(19(12)24(26,27)28)15-7-16-18-22(20(15)25)32-11-33-23(18)35(3-4-36-16)10-13-6-14(30-2)9-31-8-13/h3-9,30,32H,10-11H2,1-2H3,(H2,29,34)
InChIKeyXMAQXOGWBRDDEP-UHFFFAOYSA-N
MW515.93 g/mol
LogP5.24
Rot. Bonds4

About 6-[6-chloro-13-[[5-(methylamino)-3-pyridinyl]methyl]-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine

6-[6-chloro-13-[[5-(methylamino)-3-pyridinyl]methyl]-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 174189572) has the molecular formula C24H21ClF3N7O and a molecular weight of 515.93 g/mol. Its IUPAC name is 6-[6-chloro-13-[[5-(methylamino)-3-pyridinyl]methyl]-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-[6-chloro-13-[[5-(methylamino)-3-pyridinyl]methyl]-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine
PubChem CID174189572
Molecular FormulaC24H21ClF3N7O
Molecular Weight515.93 g/mol
Exact Mass515.14
IUPAC Name6-[6-chloro-13-[[5-(methylamino)-3-pyridinyl]methyl]-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCNc1cncc(CN2C=COc3cc(-c4nc(N)cc(C)c4C(F)(F)F)c(Cl)c4c3C2=NCN4)c1
InChIInChI=1S/C24H21ClF3N7O/c1-12-5-17(29)34-21(19(12)24(26,27)28)15-7-16-18-22(20(15)25)32-11-33-23(18)35(3-4-36-16)10-13-6-14(30-2)9-31-8-13/h3-9,30,32H,10-11H2,1-2H3,(H2,29,34)
InChIKeyXMAQXOGWBRDDEP-UHFFFAOYSA-N
XLogP5.24
TPSA100.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.93
LogP ≤ 55.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-[6-chloro-13-[[5-(methylamino)-3-pyridinyl]methyl]-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-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-[6-chloro-13-[[5-(methylamino)-3-pyridinyl]methyl]-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-[6-chloro-13-[[5-(methylamino)-3-pyridinyl]methyl]-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine (CID 174189572) is 6-[6-chloro-13-[[5-(methylamino)-3-pyridinyl]methyl]-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-[6-chloro-13-[[5-(methylamino)-3-pyridinyl]methyl]-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-[6-chloro-13-[[5-(methylamino)-3-pyridinyl]methyl]-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine is CNc1cncc(CN2C=COc3cc(-c4nc(N)cc(C)c4C(F)(F)F)c(Cl)c4c3C2=NCN4)c1.
What is the InChIKey of 6-[6-chloro-13-[[5-(methylamino)-3-pyridinyl]methyl]-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is XMAQXOGWBRDDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF3N7O/c1-12-5-17(29)34-21(19(12)24(26,27)28)15-7-16-18-22(20(15)25)32-11-33-23(18)35(3-4-36-16)10-13-6-14(30-2)9-31-8-13/h3-9,30,32H,10-11H2,1-2H3,(H2,29,34).
What are the key properties of 6-[6-chloro-13-[[5-(methylamino)-3-pyridinyl]methyl]-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine?
6-[6-chloro-13-[[5-(methylamino)-3-pyridinyl]methyl]-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 515.93 g/mol, XLogP of 5.24, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-chloro-13-[[5-(methylamino)-3-pyridinyl]methyl]-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 174189572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).