N-(2-methyl-1H-indol-5-yl)-2-(5-methyl-1,3-oxazol-2-yl)thieno[3,2-b]pyridin-7-amine

C20H16N4OS — CID 70157778

IUPACN-(2-methyl-1H-indol-5-yl)-2-(5-methyl-1,3-oxazol-2-yl)thieno[3,2-b]pyridin-7-amine
SMILESCc1cc2cc(Nc3ccnc4cc(-c5ncc(C)o5)sc34)ccc2[nH]1
InChIInChI=1S/C20H16N4OS/c1-11-7-13-8-14(3-4-15(13)23-11)24-16-5-6-21-17-9-18(26-19(16)17)20-22-10-12(2)25-20/h3-10,23H,1-2H3,(H,21,24)
InChIKeyHDDUSOBCKKBNBB-UHFFFAOYSA-N
MW360.44 g/mol
LogP5.79
Rot. Bonds3

About N-(2-methyl-1H-indol-5-yl)-2-(5-methyl-1,3-oxazol-2-yl)thieno[3,2-b]pyridin-7-amine

N-(2-methyl-1H-indol-5-yl)-2-(5-methyl-1,3-oxazol-2-yl)thieno[3,2-b]pyridin-7-amine (PubChem CID 70157778) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is N-(2-methyl-1H-indol-5-yl)-2-(5-methyl-1,3-oxazol-2-yl)thieno[3,2-b]pyridin-7-amine.

Molecular Properties

Compound NameN-(2-methyl-1H-indol-5-yl)-2-(5-methyl-1,3-oxazol-2-yl)thieno[3,2-b]pyridin-7-amine
PubChem CID70157778
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC NameN-(2-methyl-1H-indol-5-yl)-2-(5-methyl-1,3-oxazol-2-yl)thieno[3,2-b]pyridin-7-amine
SMILESCc1cc2cc(Nc3ccnc4cc(-c5ncc(C)o5)sc34)ccc2[nH]1
InChIInChI=1S/C20H16N4OS/c1-11-7-13-8-14(3-4-15(13)23-11)24-16-5-6-21-17-9-18(26-19(16)17)20-22-10-12(2)25-20/h3-10,23H,1-2H3,(H,21,24)
InChIKeyHDDUSOBCKKBNBB-UHFFFAOYSA-N
XLogP5.79
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.44
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
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
4-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridine-2-carbonyl]piperazine-1-sulfonic acid
CID 22278669
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
N-[1-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridine-2-carbonyl]pyrrolidin-3-yl]cyclobutanecarboxamide
CID 10116300
[(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
[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]methanone
CID 23401146
[2-[7-(1H-indol-5-ylamino)thieno[3,2-b]pyridin-2-yl]-5-methylphenyl]sulfamic acid
CID 141009750
2-N-(1H-indol-4-yl)-4-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine
CID 25103278

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1H-indol-5-yl)-2-(5-methyl-1,3-oxazol-2-yl)thieno[3,2-b]pyridin-7-amine?
The IUPAC name of N-(2-methyl-1H-indol-5-yl)-2-(5-methyl-1,3-oxazol-2-yl)thieno[3,2-b]pyridin-7-amine (CID 70157778) is N-(2-methyl-1H-indol-5-yl)-2-(5-methyl-1,3-oxazol-2-yl)thieno[3,2-b]pyridin-7-amine.
What is the SMILES notation for N-(2-methyl-1H-indol-5-yl)-2-(5-methyl-1,3-oxazol-2-yl)thieno[3,2-b]pyridin-7-amine?
The canonical SMILES for N-(2-methyl-1H-indol-5-yl)-2-(5-methyl-1,3-oxazol-2-yl)thieno[3,2-b]pyridin-7-amine is Cc1cc2cc(Nc3ccnc4cc(-c5ncc(C)o5)sc34)ccc2[nH]1.
What is the InChIKey of N-(2-methyl-1H-indol-5-yl)-2-(5-methyl-1,3-oxazol-2-yl)thieno[3,2-b]pyridin-7-amine?
The InChIKey is HDDUSOBCKKBNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS/c1-11-7-13-8-14(3-4-15(13)23-11)24-16-5-6-21-17-9-18(26-19(16)17)20-22-10-12(2)25-20/h3-10,23H,1-2H3,(H,21,24).
What are the key properties of N-(2-methyl-1H-indol-5-yl)-2-(5-methyl-1,3-oxazol-2-yl)thieno[3,2-b]pyridin-7-amine?
N-(2-methyl-1H-indol-5-yl)-2-(5-methyl-1,3-oxazol-2-yl)thieno[3,2-b]pyridin-7-amine has a molecular weight of 360.44 g/mol, XLogP of 5.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1H-indol-5-yl)-2-(5-methyl-1,3-oxazol-2-yl)thieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 70157778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).