6-[8-chloro-13-[2-(dimethylamino)ethyl]-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

C21H22ClF3N6O — CID 165405655

IUPAC6-[8-chloro-13-[2-(dimethylamino)ethyl]-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
SMILESCc1cc(N)nc(-c2cc3ncnc4c3c(c2Cl)OCCN4CCN(C)C)c1C(F)(F)F
InChIInChI=1S/C21H22ClF3N6O/c1-11-8-14(26)29-18(16(11)21(23,24)25)12-9-13-15-19(17(12)22)32-7-6-31(5-4-30(2)3)20(15)28-10-27-13/h8-10H,4-7H2,1-3H3,(H2,26,29)
InChIKeyHLMOYFNULUVTQZ-UHFFFAOYSA-N
MW466.90 g/mol
LogP4.02
Rot. Bonds4

About 6-[8-chloro-13-[2-(dimethylamino)ethyl]-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-[2-(dimethylamino)ethyl]-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 165405655) has the molecular formula C21H22ClF3N6O and a molecular weight of 466.90 g/mol. Its IUPAC name is 6-[8-chloro-13-[2-(dimethylamino)ethyl]-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-[2-(dimethylamino)ethyl]-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 CID165405655
Molecular FormulaC21H22ClF3N6O
Molecular Weight466.90 g/mol
Exact Mass466.15
IUPAC Name6-[8-chloro-13-[2-(dimethylamino)ethyl]-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
SMILESCc1cc(N)nc(-c2cc3ncnc4c3c(c2Cl)OCCN4CCN(C)C)c1C(F)(F)F
InChIInChI=1S/C21H22ClF3N6O/c1-11-8-14(26)29-18(16(11)21(23,24)25)12-9-13-15-19(17(12)22)32-7-6-31(5-4-30(2)3)20(15)28-10-27-13/h8-10H,4-7H2,1-3H3,(H2,26,29)
InChIKeyHLMOYFNULUVTQZ-UHFFFAOYSA-N
XLogP4.02
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.90
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[8-chloro-13-[2-(dimethylamino)ethyl]-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(7S)-11-chloro-12-(2-chloro-6-hydroxyphenyl)-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]prop-2-en-1-one
CID 142469055
1-[(7S)-11-chloro-12-(2-fluoro-6-hydroxyphenyl)-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]prop-2-en-1-one
CID 142469058
1-[(4R,7S)-11-chloro-13-fluoro-12-(2-fluoro-6-hydroxyphenyl)-4-methyl-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]prop-2-en-1-one
CID 146250737
1-[(4S,7S)-11-chloro-13-fluoro-12-(2-fluoro-6-hydroxyphenyl)-4-methyl-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]prop-2-en-1-one
CID 146250926
1-[(7S)-11-chloro-13-fluoro-12-(2-fluoro-6-hydroxyphenyl)-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]prop-2-en-1-one
CID 146461338
1-[(5M,8aS,13R)-5-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-2-{[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy}-8a,9,11,12-tetrahydropyrazino[2',1':3,4][1,4]oxazepino[5,6,7-de]quinazolin-10(8H)-yl]prop-2-en-1-one
CID 169488820
1-[(7S)-12-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-11-chloro-16-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]-3-[(2R)-2-methylpyrrolidin-2-yl]propan-1-one
CID 172439018
(E)-1-[(7S)-12-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-11-chloro-16-[[(8S)-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methoxy]-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]-3-(7-methyl-6,8-dihydro-5H-2,7-naphthyridin-1-yl)prop-2-en-1-one
CID 172441743
[(7S)-12-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-11-chloro-16-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]-piperidin-4-ylmethanone
CID 172442144
1-[(7S)-12-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-11-chloro-16-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]-2-[(7R)-2-azaspiro[3.3]heptan-7-yl]ethanone
CID 172442247
1-[(7S)-12-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-11-chloro-16-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]-3-[(2R)-piperidin-2-yl]propan-1-one
CID 172443964
1-[(7S)-12-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-11-chloro-16-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]-2-[(3S)-pyrrolidin-3-yl]ethanone
CID 172445185

Frequently Asked Questions

What is the IUPAC name of 6-[8-chloro-13-[2-(dimethylamino)ethyl]-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-[2-(dimethylamino)ethyl]-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 165405655) is 6-[8-chloro-13-[2-(dimethylamino)ethyl]-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-[2-(dimethylamino)ethyl]-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-[2-(dimethylamino)ethyl]-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 Cc1cc(N)nc(-c2cc3ncnc4c3c(c2Cl)OCCN4CCN(C)C)c1C(F)(F)F.
What is the InChIKey of 6-[8-chloro-13-[2-(dimethylamino)ethyl]-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 HLMOYFNULUVTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClF3N6O/c1-11-8-14(26)29-18(16(11)21(23,24)25)12-9-13-15-19(17(12)22)32-7-6-31(5-4-30(2)3)20(15)28-10-27-13/h8-10H,4-7H2,1-3H3,(H2,26,29).
What are the key properties of 6-[8-chloro-13-[2-(dimethylamino)ethyl]-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-[2-(dimethylamino)ethyl]-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 466.90 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[8-chloro-13-[2-(dimethylamino)ethyl]-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 165405655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).