1-[1-methyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]imidazol-2-yl]propane-1,2-diol

C23H23N5O2S — CID 10224831

IUPAC1-[1-methyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]imidazol-2-yl]propane-1,2-diol
SMILESCc1cc2cc(Nc3ccnc4cc(-c5cnc(C(O)C(C)O)n5C)sc34)ccc2[nH]1
InChIInChI=1S/C23H23N5O2S/c1-12-8-14-9-15(4-5-16(14)26-12)27-17-6-7-24-18-10-20(31-22(17)18)19-11-25-23(28(19)3)21(30)13(2)29/h4-11,13,21,26,29-30H,1-3H3,(H,24,27)
InChIKeyPORVIBBGYSLTTB-UHFFFAOYSA-N
MW433.54 g/mol
LogP4.64
Rot. Bonds5

About 1-[1-methyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]imidazol-2-yl]propane-1,2-diol

1-[1-methyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]imidazol-2-yl]propane-1,2-diol (PubChem CID 10224831) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is 1-[1-methyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]imidazol-2-yl]propane-1,2-diol.

Molecular Properties

Compound Name1-[1-methyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]imidazol-2-yl]propane-1,2-diol
PubChem CID10224831
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC Name1-[1-methyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]imidazol-2-yl]propane-1,2-diol
SMILESCc1cc2cc(Nc3ccnc4cc(-c5cnc(C(O)C(C)O)n5C)sc34)ccc2[nH]1
InChIInChI=1S/C23H23N5O2S/c1-12-8-14-9-15(4-5-16(14)26-12)27-17-6-7-24-18-10-20(31-22(17)18)19-11-25-23(28(19)3)21(30)13(2)29/h4-11,13,21,26,29-30H,1-3H3,(H,24,27)
InChIKeyPORVIBBGYSLTTB-UHFFFAOYSA-N
XLogP4.64
TPSA98.99 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 54.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 1-[1-methyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]imidazol-2-yl]propane-1,2-diol with MolForge

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Related Compounds

1-methyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]-N-(1-pyridin-3-ylethyl)imidazole-2-carboxamide
CID 70158980
N,1-dimethyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]-N-(pyridin-3-ylmethyl)imidazole-2-carboxamide
CID 70158981
N-(2-methyl-1H-indol-5-yl)-2-(5-methyl-1,3-oxazol-2-yl)thieno[3,2-b]pyridin-7-amine
CID 70157778
1-[[4-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]phenyl]methylamino]propan-2-ol
CID 139899910
7-[(2-methyl-1H-indol-5-yl)amino]-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyridine-2-carboxamide
CID 91246821
N-methyl-N-[1-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridine-2-carbonyl]pyrrolidin-3-yl]acetamide
CID 22278618
4-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridine-2-carbonyl]piperazine-1-sulfonic acid
CID 22278669
N-[1-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridine-2-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide
CID 10116300
[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]methanone
CID 23401146
[(3R)-3-(2-methoxyethoxy)pyrrolidin-1-yl]-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]methanone
CID 23401155
[2-[7-(1H-indol-5-ylamino)thieno[3,2-b]pyridin-2-yl]-5-methylphenyl]sulfamic acid
CID 141009750
4-[(2-methyl-1H-indol-5-yl)amino]-7-[2-(triazol-1-yl)ethoxy]quinoline-6-carbonitrile
CID 10294947

Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]imidazol-2-yl]propane-1,2-diol?
The IUPAC name of 1-[1-methyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]imidazol-2-yl]propane-1,2-diol (CID 10224831) is 1-[1-methyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]imidazol-2-yl]propane-1,2-diol.
What is the SMILES notation for 1-[1-methyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]imidazol-2-yl]propane-1,2-diol?
The canonical SMILES for 1-[1-methyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]imidazol-2-yl]propane-1,2-diol is Cc1cc2cc(Nc3ccnc4cc(-c5cnc(C(O)C(C)O)n5C)sc34)ccc2[nH]1.
What is the InChIKey of 1-[1-methyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]imidazol-2-yl]propane-1,2-diol?
The InChIKey is PORVIBBGYSLTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-12-8-14-9-15(4-5-16(14)26-12)27-17-6-7-24-18-10-20(31-22(17)18)19-11-25-23(28(19)3)21(30)13(2)29/h4-11,13,21,26,29-30H,1-3H3,(H,24,27).
What are the key properties of 1-[1-methyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]imidazol-2-yl]propane-1,2-diol?
1-[1-methyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]imidazol-2-yl]propane-1,2-diol has a molecular weight of 433.54 g/mol, XLogP of 4.64, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-5-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]imidazol-2-yl]propane-1,2-diol is sourced from PubChem (CID 10224831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).