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

C22H26N8O3S2 — CID 24995428

IUPAC4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]morpholine
SMILESCS(=O)(=O)N1CCN(Cc2cc3c(N4CCOCC4)nc(-c4cnc5nc[nH]c5c4)nc3s2)CC1
InChIInChI=1S/C22H26N8O3S2/c1-35(31,32)30-4-2-28(3-5-30)13-16-11-17-21(29-6-8-33-9-7-29)26-19(27-22(17)34-16)15-10-18-20(23-12-15)25-14-24-18/h10-12,14H,2-9,13H2,1H3,(H,23,24,25)
InChIKeyQCFJBRVNEVGEDH-UHFFFAOYSA-N
MW514.64 g/mol
LogP1.54
Rot. Bonds5

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

4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]morpholine (PubChem CID 24995428) has the molecular formula C22H26N8O3S2 and a molecular weight of 514.64 g/mol. Its IUPAC name is 4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]morpholine
PubChem CID24995428
Molecular FormulaC22H26N8O3S2
Molecular Weight514.64 g/mol
Exact Mass514.16
IUPAC Name4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]morpholine
SMILESCS(=O)(=O)N1CCN(Cc2cc3c(N4CCOCC4)nc(-c4cnc5nc[nH]c5c4)nc3s2)CC1
InChIInChI=1S/C22H26N8O3S2/c1-35(31,32)30-4-2-28(3-5-30)13-16-11-17-21(29-6-8-33-9-7-29)26-19(27-22(17)34-16)15-10-18-20(23-12-15)25-14-24-18/h10-12,14H,2-9,13H2,1H3,(H,23,24,25)
InChIKeyQCFJBRVNEVGEDH-UHFFFAOYSA-N
XLogP1.54
TPSA120.44 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.64
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Related Compounds

4-[2-(2-methylpyrimidin-5-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 24948735
[5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]-3-pyridinyl]methanol
CID 58233987
[3-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]phenyl]methanol
CID 59688537
5-[6-[(4-cyclopropylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 24948546
(2S)-2-hydroxy-1-[4-[[2-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propan-1-one
CID 59688573
5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 46180604
4-[2-(2-methyl-3H-benzimidazol-5-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24995106
methoxymethane;4-[6-(piperazin-1-ylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 143572067
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
(2R)-1-[4-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one
CID 58234040
4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]aniline
CID 46180663
4-[5-(1H-benzimidazol-4-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine
CID 58508116

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 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) is 4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]morpholine is CS(=O)(=O)N1CCN(Cc2cc3c(N4CCOCC4)nc(-c4cnc5nc[nH]c5c4)nc3s2)CC1.
What is the InChIKey of 4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]morpholine?
The InChIKey is QCFJBRVNEVGEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O3S2/c1-35(31,32)30-4-2-28(3-5-30)13-16-11-17-21(29-6-8-33-9-7-29)26-19(27-22(17)34-16)15-10-18-20(23-12-15)25-14-24-18/h10-12,14H,2-9,13H2,1H3,(H,23,24,25).
What are the key properties of 4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]morpholine?
4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]morpholine has a molecular weight of 514.64 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 24995428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).