N-[3-(3-methoxyphenyl)-5-(6-propyl-3-pyridinyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]acetamide

C26H27N5O2S — CID 58256769

IUPACN-[3-(3-methoxyphenyl)-5-(6-propyl-3-pyridinyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]acetamide
SMILESCCCc1ccc(-c2nn(-c3cccc(OC)c3)c3c2CCCc2nc(NC(C)=O)sc2-3)cn1
InChIInChI=1S/C26H27N5O2S/c1-4-7-18-13-12-17(15-27-18)23-21-10-6-11-22-25(34-26(29-22)28-16(2)32)24(21)31(30-23)19-8-5-9-20(14-19)33-3/h5,8-9,12-15H,4,6-7,10-11H2,1-3H3,(H,28,29,32)
InChIKeyYGKMKXOZYLNPGF-UHFFFAOYSA-N
MW473.60 g/mol
LogP5.47
Rot. Bonds6

About N-[3-(3-methoxyphenyl)-5-(6-propyl-3-pyridinyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]acetamide

N-[3-(3-methoxyphenyl)-5-(6-propyl-3-pyridinyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]acetamide (PubChem CID 58256769) has the molecular formula C26H27N5O2S and a molecular weight of 473.60 g/mol. Its IUPAC name is N-[3-(3-methoxyphenyl)-5-(6-propyl-3-pyridinyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]acetamide.

Molecular Properties

Compound NameN-[3-(3-methoxyphenyl)-5-(6-propyl-3-pyridinyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]acetamide
PubChem CID58256769
Molecular FormulaC26H27N5O2S
Molecular Weight473.60 g/mol
Exact Mass473.19
IUPAC NameN-[3-(3-methoxyphenyl)-5-(6-propyl-3-pyridinyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]acetamide
SMILESCCCc1ccc(-c2nn(-c3cccc(OC)c3)c3c2CCCc2nc(NC(C)=O)sc2-3)cn1
InChIInChI=1S/C26H27N5O2S/c1-4-7-18-13-12-17(15-27-18)23-21-10-6-11-22-25(34-26(29-22)28-16(2)32)24(21)31(30-23)19-8-5-9-20(14-19)33-3/h5,8-9,12-15H,4,6-7,10-11H2,1-3H3,(H,28,29,32)
InChIKeyYGKMKXOZYLNPGF-UHFFFAOYSA-N
XLogP5.47
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.60
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-(3-methoxyphenyl)-5-(6-propyl-3-pyridinyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]acetamide 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

[3-Methoxy-4-(1-methyl-1H-pyrazol-4-yl)-phenyl]-(4-phenyl-4,5,6,7-tetrahydro-benzothiazol-2-yl)-amine
CID 44193859
N-(6-methoxy-2-pyridinyl)-5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine
CID 46836635
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2409521
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2555090
N-(1,3-benzothiazol-2-yl)-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
CID 5309384
N-(6-ethoxy-2-pyridinyl)-5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine
CID 53388042
N-[6-(2-methoxyethoxy)-2-pyridinyl]-5-thia-3,11,12-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraen-4-amine
CID 53388194
(3-Methoxy-phenyl)-(4-pyridin-3-yl-thiazol-2-yl)-amine
CID 972986
1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-pyridinyl)-1H-pyrazol-5-amine
CID 1474438
2-(3,5-Dimethyl-pyrazol-1-yl)-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-acetamide
CID 650434
7-[4-[4-[4-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoylamino]phenoxy]-2-pyridinyl]pyrazol-1-yl]-N-hydroxyheptanamide
CID 178298684
2-(4-methoxyphenyl)-4-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 25332321

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxyphenyl)-5-(6-propyl-3-pyridinyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]acetamide?
The IUPAC name of N-[3-(3-methoxyphenyl)-5-(6-propyl-3-pyridinyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]acetamide (CID 58256769) is N-[3-(3-methoxyphenyl)-5-(6-propyl-3-pyridinyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]acetamide.
What is the SMILES notation for N-[3-(3-methoxyphenyl)-5-(6-propyl-3-pyridinyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]acetamide?
The canonical SMILES for N-[3-(3-methoxyphenyl)-5-(6-propyl-3-pyridinyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]acetamide is CCCc1ccc(-c2nn(-c3cccc(OC)c3)c3c2CCCc2nc(NC(C)=O)sc2-3)cn1.
What is the InChIKey of N-[3-(3-methoxyphenyl)-5-(6-propyl-3-pyridinyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]acetamide?
The InChIKey is YGKMKXOZYLNPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2S/c1-4-7-18-13-12-17(15-27-18)23-21-10-6-11-22-25(34-26(29-22)28-16(2)32)24(21)31(30-23)19-8-5-9-20(14-19)33-3/h5,8-9,12-15H,4,6-7,10-11H2,1-3H3,(H,28,29,32).
What are the key properties of N-[3-(3-methoxyphenyl)-5-(6-propyl-3-pyridinyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]acetamide?
N-[3-(3-methoxyphenyl)-5-(6-propyl-3-pyridinyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]acetamide has a molecular weight of 473.60 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxyphenyl)-5-(6-propyl-3-pyridinyl)-13-thia-3,4,11-triazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraen-12-yl]acetamide is sourced from PubChem (CID 58256769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).