4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-7-methyl-6-(2-methylsulfonyl-1,3-thiazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine

C21H19N7O3S3 — CID 24968944

IUPAC4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-7-methyl-6-(2-methylsulfonyl-1,3-thiazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESCc1c(-c2csc(S(C)(=O)=O)n2)sc2c(N3CCOCC3)nc(-c3cnc4nc[nH]c4c3)nc12
InChIInChI=1S/C21H19N7O3S3/c1-11-15-17(33-16(11)14-9-32-21(25-14)34(2,29)30)20(28-3-5-31-6-4-28)27-18(26-15)12-7-13-19(22-8-12)24-10-23-13/h7-10H,3-6H2,1-2H3,(H,22,23,24)
InChIKeyJZLFPGZBUCEXHX-UHFFFAOYSA-N
MW513.63 g/mol
LogP3.30
Rot. Bonds4

About 4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-7-methyl-6-(2-methylsulfonyl-1,3-thiazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine

4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-7-methyl-6-(2-methylsulfonyl-1,3-thiazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 24968944) has the molecular formula C21H19N7O3S3 and a molecular weight of 513.63 g/mol. Its IUPAC name is 4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-7-methyl-6-(2-methylsulfonyl-1,3-thiazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-7-methyl-6-(2-methylsulfonyl-1,3-thiazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID24968944
Molecular FormulaC21H19N7O3S3
Molecular Weight513.63 g/mol
Exact Mass513.07
IUPAC Name4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-7-methyl-6-(2-methylsulfonyl-1,3-thiazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESCc1c(-c2csc(S(C)(=O)=O)n2)sc2c(N3CCOCC3)nc(-c3cnc4nc[nH]c4c3)nc12
InChIInChI=1S/C21H19N7O3S3/c1-11-15-17(33-16(11)14-9-32-21(25-14)34(2,29)30)20(28-3-5-31-6-4-28)27-18(26-15)12-7-13-19(22-8-12)24-10-23-13/h7-10H,3-6H2,1-2H3,(H,22,23,24)
InChIKeyJZLFPGZBUCEXHX-UHFFFAOYSA-N
XLogP3.30
TPSA126.85 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.63
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-7-methyl-6-(2-methylsulfonyl-1,3-thiazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine with MolForge

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Related Compounds

4-[2-(1H-imidazo[4,5-b]pyridin-3-ium-6-yl)-7-methyl-6-(3-methylsulfonylphenyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 123210737
4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 24995428
[3-[7-methyl-4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl]phenyl]-methylsulfonylmethanamine
CID 91176234
N-methyl-5-[7-methyl-6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine
CID 59829337
[4-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 59829431
2-hydroxy-1-[4-[[7-methyl-2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propan-1-one
CID 66617774
[3-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 59829336
5-[7-methyl-4-morpholin-4-yl-6-(6-thiomorpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 143695009
3-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-(2-hydroxyethyl)benzamide
CID 59829345
N-methyl-5-[7-methyl-6-(3-methylsulfanylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine
CID 143694961
4-[2-(2-aminopyrimidin-5-yl)-7-methyl-6-[4-[2-(sulfinatoamino)ethyl]phenyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 118914310
acetylene;2-hydroxy-1-[4-[[7-methyl-4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]ethanone
CID 143572074

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-7-methyl-6-(2-methylsulfonyl-1,3-thiazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-7-methyl-6-(2-methylsulfonyl-1,3-thiazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine (CID 24968944) is 4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-7-methyl-6-(2-methylsulfonyl-1,3-thiazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-7-methyl-6-(2-methylsulfonyl-1,3-thiazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-7-methyl-6-(2-methylsulfonyl-1,3-thiazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine is Cc1c(-c2csc(S(C)(=O)=O)n2)sc2c(N3CCOCC3)nc(-c3cnc4nc[nH]c4c3)nc12.
What is the InChIKey of 4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-7-methyl-6-(2-methylsulfonyl-1,3-thiazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is JZLFPGZBUCEXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O3S3/c1-11-15-17(33-16(11)14-9-32-21(25-14)34(2,29)30)20(28-3-5-31-6-4-28)27-18(26-15)12-7-13-19(22-8-12)24-10-23-13/h7-10H,3-6H2,1-2H3,(H,22,23,24).
What are the key properties of 4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-7-methyl-6-(2-methylsulfonyl-1,3-thiazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-7-methyl-6-(2-methylsulfonyl-1,3-thiazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 513.63 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-7-methyl-6-(2-methylsulfonyl-1,3-thiazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 24968944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).