3-[(6-methoxy-1H-indazol-5-yl)amino]-N-[2-[(6-methoxy-1H-indazol-5-yl)amino]ethyl]-N-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-11-carboxamide

C29H30N10O3S — CID 118553285

IUPAC3-[(6-methoxy-1H-indazol-5-yl)amino]-N-[2-[(6-methoxy-1H-indazol-5-yl)amino]ethyl]-N-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-11-carboxamide
SMILESCOc1cc2[nH]ncc2cc1NCCN(C)C(=O)N1CCc2c(sc3ncnc(Nc4cc5cn[nH]c5cc4OC)c23)C1
InChIInChI=1S/C29H30N10O3S/c1-38(7-5-30-21-8-16-12-33-36-19(16)10-23(21)41-2)29(40)39-6-4-18-25(14-39)43-28-26(18)27(31-15-32-28)35-22-9-17-13-34-37-20(17)11-24(22)42-3/h8-13,15,30H,4-7,14H2,1-3H3,(H,33,36)(H,34,37)(H,31,32,35)
InChIKeyDFHJPSORURTPNE-UHFFFAOYSA-N
MW598.69 g/mol
LogP4.73
Rot. Bonds8

About 3-[(6-methoxy-1H-indazol-5-yl)amino]-N-[2-[(6-methoxy-1H-indazol-5-yl)amino]ethyl]-N-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-11-carboxamide

3-[(6-methoxy-1H-indazol-5-yl)amino]-N-[2-[(6-methoxy-1H-indazol-5-yl)amino]ethyl]-N-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-11-carboxamide (PubChem CID 118553285) has the molecular formula C29H30N10O3S and a molecular weight of 598.69 g/mol. Its IUPAC name is 3-[(6-methoxy-1H-indazol-5-yl)amino]-N-[2-[(6-methoxy-1H-indazol-5-yl)amino]ethyl]-N-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-11-carboxamide.

Molecular Properties

Compound Name3-[(6-methoxy-1H-indazol-5-yl)amino]-N-[2-[(6-methoxy-1H-indazol-5-yl)amino]ethyl]-N-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-11-carboxamide
PubChem CID118553285
Molecular FormulaC29H30N10O3S
Molecular Weight598.69 g/mol
Exact Mass598.22
IUPAC Name3-[(6-methoxy-1H-indazol-5-yl)amino]-N-[2-[(6-methoxy-1H-indazol-5-yl)amino]ethyl]-N-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-11-carboxamide
SMILESCOc1cc2[nH]ncc2cc1NCCN(C)C(=O)N1CCc2c(sc3ncnc(Nc4cc5cn[nH]c5cc4OC)c23)C1
InChIInChI=1S/C29H30N10O3S/c1-38(7-5-30-21-8-16-12-33-36-19(16)10-23(21)41-2)29(40)39-6-4-18-25(14-39)43-28-26(18)27(31-15-32-28)35-22-9-17-13-34-37-20(17)11-24(22)42-3/h8-13,15,30H,4-7,14H2,1-3H3,(H,33,36)(H,34,37)(H,31,32,35)
InChIKeyDFHJPSORURTPNE-UHFFFAOYSA-N
XLogP4.73
TPSA149.21 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500598.69
LogP ≤ 54.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 3-[(6-methoxy-1H-indazol-5-yl)amino]-N-[2-[(6-methoxy-1H-indazol-5-yl)amino]ethyl]-N-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-11-carboxamide 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

[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-[(7S)-4-[(6-methoxy-1H-indazol-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-7-yl]methanone
CID 118096388
[4-[(6-methoxy-1H-indazol-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-7-yl]-piperidin-1-ylmethanone
CID 118060691
(7S)-7-ethyl-4-[(6-methoxy-1H-indazol-5-yl)amino]-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidine-7-carboxylic acid
CID 90317290
[(7S)-4-[(6-methoxy-1H-indazol-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-7-yl]-thiomorpholin-4-ylmethanone
CID 118095958
[4-[(6-methoxy-1H-indazol-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-7-yl] N-ethyl-N-methylcarbamate
CID 121408438
7-ethyl-N-methoxy-4-[(6-methoxy-1H-indazol-5-yl)amino]-N-methyl-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
CID 140720750
[4-[(6-methoxy-1H-indazol-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-7-yl] N-methyl-N-propan-2-ylcarbamate
CID 121408479
(7S)-4-[(6-methoxy-1H-indazol-5-yl)amino]-N-methyl-N-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
CID 118096422
4-[(6-methoxy-1H-indazol-5-yl)amino]-N-methyl-N-(3,3,3-trifluoropropyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
CID 123343401
3-azabicyclo[3.1.0]hexan-3-yl-[(7S)-4-[(6-methoxy-1H-indazol-5-yl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-7-yl]methanone
CID 118096380
(7R)-4-[(6-methoxy-1H-indazol-5-yl)amino]-N,7-dimethyl-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidine-7-carboxamide
CID 144675956
(1-methylpiperidin-4-yl)-[3-[(6-methylsulfanyl-1H-indazol-5-yl)amino]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-11-yl]methanone
CID 118543105

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-1H-indazol-5-yl)amino]-N-[2-[(6-methoxy-1H-indazol-5-yl)amino]ethyl]-N-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-11-carboxamide?
The IUPAC name of 3-[(6-methoxy-1H-indazol-5-yl)amino]-N-[2-[(6-methoxy-1H-indazol-5-yl)amino]ethyl]-N-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-11-carboxamide (CID 118553285) is 3-[(6-methoxy-1H-indazol-5-yl)amino]-N-[2-[(6-methoxy-1H-indazol-5-yl)amino]ethyl]-N-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-11-carboxamide.
What is the SMILES notation for 3-[(6-methoxy-1H-indazol-5-yl)amino]-N-[2-[(6-methoxy-1H-indazol-5-yl)amino]ethyl]-N-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-11-carboxamide?
The canonical SMILES for 3-[(6-methoxy-1H-indazol-5-yl)amino]-N-[2-[(6-methoxy-1H-indazol-5-yl)amino]ethyl]-N-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-11-carboxamide is COc1cc2[nH]ncc2cc1NCCN(C)C(=O)N1CCc2c(sc3ncnc(Nc4cc5cn[nH]c5cc4OC)c23)C1.
What is the InChIKey of 3-[(6-methoxy-1H-indazol-5-yl)amino]-N-[2-[(6-methoxy-1H-indazol-5-yl)amino]ethyl]-N-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-11-carboxamide?
The InChIKey is DFHJPSORURTPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N10O3S/c1-38(7-5-30-21-8-16-12-33-36-19(16)10-23(21)41-2)29(40)39-6-4-18-25(14-39)43-28-26(18)27(31-15-32-28)35-22-9-17-13-34-37-20(17)11-24(22)42-3/h8-13,15,30H,4-7,14H2,1-3H3,(H,33,36)(H,34,37)(H,31,32,35).
What are the key properties of 3-[(6-methoxy-1H-indazol-5-yl)amino]-N-[2-[(6-methoxy-1H-indazol-5-yl)amino]ethyl]-N-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-11-carboxamide?
3-[(6-methoxy-1H-indazol-5-yl)amino]-N-[2-[(6-methoxy-1H-indazol-5-yl)amino]ethyl]-N-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-11-carboxamide has a molecular weight of 598.69 g/mol, XLogP of 4.73, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-1H-indazol-5-yl)amino]-N-[2-[(6-methoxy-1H-indazol-5-yl)amino]ethyl]-N-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-11-carboxamide is sourced from PubChem (CID 118553285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).