2-[2-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]ethyl-methylamino]ethanol

C22H24ClF3N6O2 — CID 170649707

IUPAC2-[2-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]ethyl-methylamino]ethanol
SMILESCc1cc(N)nc(-c2cc3ncnc4c3c(c2Cl)OCCN4CCN(C)CCO)c1C(F)(F)F
InChIInChI=1S/C22H24ClF3N6O2/c1-12-9-15(27)30-19(17(12)22(24,25)26)13-10-14-16-20(18(13)23)34-8-6-32(21(16)29-11-28-14)4-3-31(2)5-7-33/h9-11,33H,3-8H2,1-2H3,(H2,27,30)
InChIKeyFLUJUFSIXDQDAW-UHFFFAOYSA-N
MW496.92 g/mol
LogP3.38
Rot. Bonds6

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

2-[2-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]ethyl-methylamino]ethanol (PubChem CID 170649707) has the molecular formula C22H24ClF3N6O2 and a molecular weight of 496.92 g/mol. Its IUPAC name is 2-[2-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]ethyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[2-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]ethyl-methylamino]ethanol
PubChem CID170649707
Molecular FormulaC22H24ClF3N6O2
Molecular Weight496.92 g/mol
Exact Mass496.16
IUPAC Name2-[2-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]ethyl-methylamino]ethanol
SMILESCc1cc(N)nc(-c2cc3ncnc4c3c(c2Cl)OCCN4CCN(C)CCO)c1C(F)(F)F
InChIInChI=1S/C22H24ClF3N6O2/c1-12-9-15(27)30-19(17(12)22(24,25)26)13-10-14-16-20(18(13)23)34-8-6-32(21(16)29-11-28-14)4-3-31(2)5-7-33/h9-11,33H,3-8H2,1-2H3,(H2,27,30)
InChIKeyFLUJUFSIXDQDAW-UHFFFAOYSA-N
XLogP3.38
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.92
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]ethyl-methylamino]ethanol?
The IUPAC name of 2-[2-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]ethyl-methylamino]ethanol (CID 170649707) is 2-[2-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]ethyl-methylamino]ethanol.
What is the SMILES notation for 2-[2-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]ethyl-methylamino]ethanol?
The canonical SMILES for 2-[2-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]ethyl-methylamino]ethanol is Cc1cc(N)nc(-c2cc3ncnc4c3c(c2Cl)OCCN4CCN(C)CCO)c1C(F)(F)F.
What is the InChIKey of 2-[2-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]ethyl-methylamino]ethanol?
The InChIKey is FLUJUFSIXDQDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClF3N6O2/c1-12-9-15(27)30-19(17(12)22(24,25)26)13-10-14-16-20(18(13)23)34-8-6-32(21(16)29-11-28-14)4-3-31(2)5-7-33/h9-11,33H,3-8H2,1-2H3,(H2,27,30).
What are the key properties of 2-[2-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]ethyl-methylamino]ethanol?
2-[2-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]ethyl-methylamino]ethanol has a molecular weight of 496.92 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-8-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-13-yl]ethyl-methylamino]ethanol is sourced from PubChem (CID 170649707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).