4-[6-chloro-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine

C17H14ClN5OS — CID 59592910

IUPAC4-[6-chloro-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESClc1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2s1
InChIInChI=1S/C17H14ClN5OS/c18-14-8-13-15(25-14)17(23-4-6-24-7-5-23)21-16(20-13)10-2-1-3-12-11(10)9-19-22-12/h1-3,8-9H,4-7H2,(H,19,22)
InChIKeyYVXPBURFHIOTBL-UHFFFAOYSA-N
MW371.85 g/mol
LogP3.72
Rot. Bonds2

About 4-[6-chloro-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine

4-[6-chloro-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 59592910) has the molecular formula C17H14ClN5OS and a molecular weight of 371.85 g/mol. Its IUPAC name is 4-[6-chloro-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-chloro-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID59592910
Molecular FormulaC17H14ClN5OS
Molecular Weight371.85 g/mol
Exact Mass371.06
IUPAC Name4-[6-chloro-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESClc1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2s1
InChIInChI=1S/C17H14ClN5OS/c18-14-8-13-15(25-14)17(23-4-6-24-7-5-23)21-16(20-13)10-2-1-3-12-11(10)9-19-22-12/h1-3,8-9H,4-7H2,(H,19,22)
InChIKeyYVXPBURFHIOTBL-UHFFFAOYSA-N
XLogP3.72
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
2-(1H-indazol-4-yl)-4-morpholin-4-yl-N-phenylthieno[3,2-d]pyrimidin-6-amine
CID 59592927
3-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]aniline
CID 59592979
N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]methanesulfonamide
CID 59592859
3-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N,N-dimethylpropan-1-amine
CID 130267909
4-[2-(1H-indazol-4-yl)-6-(3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59593066
4-[2-(1H-indazol-4-yl)-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 11692075
4-[6-(1,5-dihydropyrazol-2-ylmethyl)-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 130241331
4-[6-(imidazol-1-ylmethyl)-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59593033
1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbonyl]piperazin-1-yl]ethanone
CID 59593152
N-[2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-yl]methanesulfonamide
CID 59593040

Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-chloro-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine (CID 59592910) is 4-[6-chloro-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-chloro-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-chloro-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine is Clc1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2s1.
What is the InChIKey of 4-[6-chloro-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is YVXPBURFHIOTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5OS/c18-14-8-13-15(25-14)17(23-4-6-24-7-5-23)21-16(20-13)10-2-1-3-12-11(10)9-19-22-12/h1-3,8-9H,4-7H2,(H,19,22).
What are the key properties of 4-[6-chloro-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
4-[6-chloro-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 371.85 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 59592910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).