6-(6-chloro-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

C17H13ClF3N5O — CID 174189629

IUPAC6-(6-chloro-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
SMILESCc1cc(N)nc(-c2cc3c4c(c2Cl)NCN=C4NC=CO3)c1C(F)(F)F
InChIInChI=1S/C17H13ClF3N5O/c1-7-4-10(22)26-14(12(7)17(19,20)21)8-5-9-11-15(13(8)18)24-6-25-16(11)23-2-3-27-9/h2-5,24H,6H2,1H3,(H2,22,26)(H,23,25)
InChIKeyIXNGIJBFBIVTEW-UHFFFAOYSA-N
MW395.77 g/mol
LogP3.89
Rot. Bonds1

About 6-(6-chloro-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-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 174189629) has the molecular formula C17H13ClF3N5O and a molecular weight of 395.77 g/mol. Its IUPAC name is 6-(6-chloro-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-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 CID174189629
Molecular FormulaC17H13ClF3N5O
Molecular Weight395.77 g/mol
Exact Mass395.08
IUPAC Name6-(6-chloro-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
SMILESCc1cc(N)nc(-c2cc3c4c(c2Cl)NCN=C4NC=CO3)c1C(F)(F)F
InChIInChI=1S/C17H13ClF3N5O/c1-7-4-10(22)26-14(12(7)17(19,20)21)8-5-9-11-15(13(8)18)24-6-25-16(11)23-2-3-27-9/h2-5,24H,6H2,1H3,(H2,22,26)(H,23,25)
InChIKeyIXNGIJBFBIVTEW-UHFFFAOYSA-N
XLogP3.89
TPSA84.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.77
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-(6-chloro-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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Related Compounds

1-[2-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-13-yl]ethyl]pyridin-2-one
CID 174189646
N-[5-[1-[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-13-yl]ethyl]-3-pyridinyl]acetamide
CID 174189865
6-[6-chloro-13-[1-[5-(cyclopropylmethylamino)-3-pyridinyl]ethyl]-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 174189623
6-[6-chloro-13-[(5-methylsulfanyl-3-pyridinyl)methyl]-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-7-yl]-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 174189685
6-[6-chloro-13-[2-[2-[(4-methoxyphenyl)methylamino]-3-pyridinyl]propan-2-yl]-10-oxa-2,4,13-triazatricyclo[7.4.1.05,14]tetradeca-1,5,7,9(14),11-pentaen-7-yl]-N,N-bis[(4-methoxyphenyl)methyl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 174189645
6-[13-[(1R)-1-(5-amino-3-pyridinyl)ethyl]-8-chloro-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 170649720
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
6-[13-[(2-amino-3-pyridinyl)-cyclopropylmethyl]-8-chloro-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 165405661
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
5-chloro-3-methyl-2-(trifluoromethyl)aniline
CID 130969006
4-[[7-[6-amino-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoroquinazolin-2-yl]oxymethyl]oxane-4-carbonitrile
CID 167161707
6-[6-chloro-2-[1-(dimethylamino)cyclopentyl]oxy-4-[(2S)-2-methylpiperazin-1-yl]quinazolin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 175085231

Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-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-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 174189629) is 6-(6-chloro-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-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-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 Cc1cc(N)nc(-c2cc3c4c(c2Cl)NCN=C4NC=CO3)c1C(F)(F)F.
What is the InChIKey of 6-(6-chloro-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 IXNGIJBFBIVTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N5O/c1-7-4-10(22)26-14(12(7)17(19,20)21)8-5-9-11-15(13(8)18)24-6-25-16(11)23-2-3-27-9/h2-5,24H,6H2,1H3,(H2,22,26)(H,23,25).
What are the key properties of 6-(6-chloro-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-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 395.77 g/mol, XLogP of 3.89, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloro-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 174189629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).