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

C28H27ClF3N7O — CID 174189623

IUPAC6-[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
SMILESCc1cc(N)nc(-c2cc3c4c(c2Cl)NCN=C4N(C(C)c2cncc(NCC4CC4)c2)C=CO3)c1C(F)(F)F
InChIInChI=1S/C28H27ClF3N7O/c1-14-7-21(33)38-25(23(14)28(30,31)32)19-9-20-22-26(24(19)29)36-13-37-27(22)39(5-6-40-20)15(2)17-8-18(12-34-11-17)35-10-16-3-4-16/h5-9,11-12,15-16,35-36H,3-4,10,13H2,1-2H3,(H2,33,38)
InChIKeyXXEVQFIUZICJFU-UHFFFAOYSA-N
MW570.02 g/mol
LogP6.58
Rot. Bonds6

About 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

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 (PubChem CID 174189623) has the molecular formula C28H27ClF3N7O and a molecular weight of 570.02 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID174189623
Molecular FormulaC28H27ClF3N7O
Molecular Weight570.02 g/mol
Exact Mass569.19
IUPAC Name6-[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
SMILESCc1cc(N)nc(-c2cc3c4c(c2Cl)NCN=C4N(C(C)c2cncc(NCC4CC4)c2)C=CO3)c1C(F)(F)F
InChIInChI=1S/C28H27ClF3N7O/c1-14-7-21(33)38-25(23(14)28(30,31)32)19-9-20-22-26(24(19)29)36-13-37-27(22)39(5-6-40-20)15(2)17-8-18(12-34-11-17)35-10-16-3-4-16/h5-9,11-12,15-16,35-36H,3-4,10,13H2,1-2H3,(H2,33,38)
InChIKeyXXEVQFIUZICJFU-UHFFFAOYSA-N
XLogP6.58
TPSA100.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.02
LogP ≤ 56.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(N)nc(-c2cc3c4c(c2Cl)NCN=C4N(C(C)c2cncc(NCC4CC4)c2)C=CO3)c1C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is XXEVQFIUZICJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClF3N7O/c1-14-7-21(33)38-25(23(14)28(30,31)32)19-9-20-22-26(24(19)29)36-13-37-27(22)39(5-6-40-20)15(2)17-8-18(12-34-11-17)35-10-16-3-4-16/h5-9,11-12,15-16,35-36H,3-4,10,13H2,1-2H3,(H2,33,38).
What are the key properties of 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?
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 has a molecular weight of 570.02 g/mol, XLogP of 6.58, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 174189623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).