1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]sulfonylpiperidin-4-ol

C22H24N6O4S2 — CID 59593043

IUPAC1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]sulfonylpiperidin-4-ol
SMILESO=S(=O)(c1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2s1)N1CCC(O)CC1
InChIInChI=1S/C22H24N6O4S2/c29-14-4-6-28(7-5-14)34(30,31)19-12-18-20(33-19)22(27-8-10-32-11-9-27)25-21(24-18)15-2-1-3-17-16(15)13-23-26-17/h1-3,12-14,29H,4-11H2,(H,23,26)
InChIKeyHWFXCRFJUMYUFM-UHFFFAOYSA-N
MW500.61 g/mol
LogP2.22
Rot. Bonds4

About 1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]sulfonylpiperidin-4-ol

1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]sulfonylpiperidin-4-ol (PubChem CID 59593043) has the molecular formula C22H24N6O4S2 and a molecular weight of 500.61 g/mol. Its IUPAC name is 1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]sulfonylpiperidin-4-ol
PubChem CID59593043
Molecular FormulaC22H24N6O4S2
Molecular Weight500.61 g/mol
Exact Mass500.13
IUPAC Name1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]sulfonylpiperidin-4-ol
SMILESO=S(=O)(c1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2s1)N1CCC(O)CC1
InChIInChI=1S/C22H24N6O4S2/c29-14-4-6-28(7-5-14)34(30,31)19-12-18-20(33-19)22(27-8-10-32-11-9-27)25-21(24-18)15-2-1-3-17-16(15)13-23-26-17/h1-3,12-14,29H,4-11H2,(H,23,26)
InChIKeyHWFXCRFJUMYUFM-UHFFFAOYSA-N
XLogP2.22
TPSA124.54 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.61
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

4-[6-chloro-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59592910
4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-1-methylsulfonylpiperidin-4-ol
CID 59592875
4-[2-(1H-indazol-4-yl)-6-[[4-(methylsulfonylmethyl)azocan-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 123992881
4-[2-(1H-indazol-4-yl)-6-[(4-morpholin-4-ylsulfonylpiperidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59688554
N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]methanesulfonamide
CID 59592859
4-[6-ethenyl-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 70310200
2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbonitrile
CID 59592848
4-[2-(1H-indazol-4-yl)-6-[1-(4-methylsulfonylpiperazin-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59593168
N-[2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-yl]methanesulfonamide
CID 59593040
4-[2-(1H-indazol-4-yl)-6-[[4-(4-methylpiperazin-1-yl)sulfonylpiperidin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59688524
3-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]aniline
CID 59592979
1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbonyl]piperazin-1-yl]ethanone
CID 59593152

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]sulfonylpiperidin-4-ol?
The IUPAC name of 1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]sulfonylpiperidin-4-ol (CID 59593043) is 1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]sulfonylpiperidin-4-ol.
What is the SMILES notation for 1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]sulfonylpiperidin-4-ol?
The canonical SMILES for 1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]sulfonylpiperidin-4-ol is O=S(=O)(c1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2s1)N1CCC(O)CC1.
What is the InChIKey of 1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]sulfonylpiperidin-4-ol?
The InChIKey is HWFXCRFJUMYUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O4S2/c29-14-4-6-28(7-5-14)34(30,31)19-12-18-20(33-19)22(27-8-10-32-11-9-27)25-21(24-18)15-2-1-3-17-16(15)13-23-26-17/h1-3,12-14,29H,4-11H2,(H,23,26).
What are the key properties of 1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]sulfonylpiperidin-4-ol?
1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]sulfonylpiperidin-4-ol has a molecular weight of 500.61 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]sulfonylpiperidin-4-ol is sourced from PubChem (CID 59593043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).