4,4-dimethyl-8-morpholin-4-yl-N-(pyridin-4-ylmethyl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-amine

C25H28N6OS — CID 11648288

IUPAC4,4-dimethyl-8-morpholin-4-yl-N-(pyridin-4-ylmethyl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-amine
SMILESCC1(C)CCc2c(N3CCOCC3)nc3sc4c(NCc5ccncc5)ncnc4c3c2C1
InChIInChI=1S/C25H28N6OS/c1-25(2)6-3-17-18(13-25)19-20-21(33-24(19)30-23(17)31-9-11-32-12-10-31)22(29-15-28-20)27-14-16-4-7-26-8-5-16/h4-5,7-8,15H,3,6,9-14H2,1-2H3,(H,27,28,29)
InChIKeyADXIPZNPTFVGDB-UHFFFAOYSA-N
MW460.61 g/mol
LogP4.60
Rot. Bonds4

About 4,4-dimethyl-8-morpholin-4-yl-N-(pyridin-4-ylmethyl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-amine

4,4-dimethyl-8-morpholin-4-yl-N-(pyridin-4-ylmethyl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-amine (PubChem CID 11648288) has the molecular formula C25H28N6OS and a molecular weight of 460.61 g/mol. Its IUPAC name is 4,4-dimethyl-8-morpholin-4-yl-N-(pyridin-4-ylmethyl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-amine.

Molecular Properties

Compound Name4,4-dimethyl-8-morpholin-4-yl-N-(pyridin-4-ylmethyl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-amine
PubChem CID11648288
Molecular FormulaC25H28N6OS
Molecular Weight460.61 g/mol
Exact Mass460.20
IUPAC Name4,4-dimethyl-8-morpholin-4-yl-N-(pyridin-4-ylmethyl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-amine
SMILESCC1(C)CCc2c(N3CCOCC3)nc3sc4c(NCc5ccncc5)ncnc4c3c2C1
InChIInChI=1S/C25H28N6OS/c1-25(2)6-3-17-18(13-25)19-20-21(33-24(19)30-23(17)31-9-11-32-12-10-31)22(29-15-28-20)27-14-16-4-7-26-8-5-16/h4-5,7-8,15H,3,6,9-14H2,1-2H3,(H,27,28,29)
InChIKeyADXIPZNPTFVGDB-UHFFFAOYSA-N
XLogP4.60
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.61
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4,4-dimethyl-8-morpholin-4-yl-N-(pyridin-4-ylmethyl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-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

5-(6-(2-Aminopropan-2-yl)-4-morpholinothieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 25109014
2-(4-Amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine
CID 1504905
4-(7,9-Dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)morpholine
CID 736554
2,2-Dimethyl-5-morpholino-N-(pyridin-3-ylmethyl)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine
CID 4254532
2,2-Dimethyl-5-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydropyrimidino[4'',5'':4,5]thieno[2,3-c]isoquinolin-8-amine
CID 11511603
4,4-dimethyl-N-(2-morpholin-4-ylethyl)-8-pyrrolidin-1-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-amine
CID 11532832
4,4-dimethyl-8-morpholin-4-yl-N-(pyridin-4-ylmethyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine
CID 11626787
4,4-dimethyl-8-morpholin-4-yl-N-(pyridin-3-ylmethyl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-amine
CID 11633996
2,2-Dimethyl-5-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydropyrimido[4'',5'':4,5]thieno[2,3-c]isoquinolin-8-amine
CID 11641556
1-[3-[(4,4-Dimethyl-8-morpholin-4-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-yl)amino]propyl]pyrrolidin-2-one
CID 11648915
5-Isobutyl-2,2-dimethyl-N-(2-morpholin-4-ylethyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-amine
CID 11662453
1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 11677284

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-8-morpholin-4-yl-N-(pyridin-4-ylmethyl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-amine?
The IUPAC name of 4,4-dimethyl-8-morpholin-4-yl-N-(pyridin-4-ylmethyl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-amine (CID 11648288) is 4,4-dimethyl-8-morpholin-4-yl-N-(pyridin-4-ylmethyl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-amine.
What is the SMILES notation for 4,4-dimethyl-8-morpholin-4-yl-N-(pyridin-4-ylmethyl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-amine?
The canonical SMILES for 4,4-dimethyl-8-morpholin-4-yl-N-(pyridin-4-ylmethyl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-amine is CC1(C)CCc2c(N3CCOCC3)nc3sc4c(NCc5ccncc5)ncnc4c3c2C1.
What is the InChIKey of 4,4-dimethyl-8-morpholin-4-yl-N-(pyridin-4-ylmethyl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-amine?
The InChIKey is ADXIPZNPTFVGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6OS/c1-25(2)6-3-17-18(13-25)19-20-21(33-24(19)30-23(17)31-9-11-32-12-10-31)22(29-15-28-20)27-14-16-4-7-26-8-5-16/h4-5,7-8,15H,3,6,9-14H2,1-2H3,(H,27,28,29).
What are the key properties of 4,4-dimethyl-8-morpholin-4-yl-N-(pyridin-4-ylmethyl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-amine?
4,4-dimethyl-8-morpholin-4-yl-N-(pyridin-4-ylmethyl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-amine has a molecular weight of 460.61 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-8-morpholin-4-yl-N-(pyridin-4-ylmethyl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-amine is sourced from PubChem (CID 11648288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).