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

C17H15N5OS — CID 25023744

IUPAC4-[2-(1H-indazol-6-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESc1cc2nc(-c3ccc4cn[nH]c4c3)nc(N3CCOCC3)c2s1
InChIInChI=1S/C17H15N5OS/c1-2-12-10-18-21-14(12)9-11(1)16-19-13-3-8-24-15(13)17(20-16)22-4-6-23-7-5-22/h1-3,8-10H,4-7H2,(H,18,21)
InChIKeyUXVQKIONVNQABP-UHFFFAOYSA-N
MW337.41 g/mol
LogP3.07
Rot. Bonds2

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

4-[2-(1H-indazol-6-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 25023744) has the molecular formula C17H15N5OS and a molecular weight of 337.41 g/mol. Its IUPAC name is 4-[2-(1H-indazol-6-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(1H-indazol-6-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID25023744
Molecular FormulaC17H15N5OS
Molecular Weight337.41 g/mol
Exact Mass337.10
IUPAC Name4-[2-(1H-indazol-6-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESc1cc2nc(-c3ccc4cn[nH]c4c3)nc(N3CCOCC3)c2s1
InChIInChI=1S/C17H15N5OS/c1-2-12-10-18-21-14(12)9-11(1)16-19-13-3-8-24-15(13)17(20-16)22-4-6-23-7-5-22/h1-3,8-10H,4-7H2,(H,18,21)
InChIKeyUXVQKIONVNQABP-UHFFFAOYSA-N
XLogP3.07
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-indazol-6-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-(1H-indazol-6-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine (CID 25023744) is 4-[2-(1H-indazol-6-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(1H-indazol-6-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-(1H-indazol-6-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine is c1cc2nc(-c3ccc4cn[nH]c4c3)nc(N3CCOCC3)c2s1.
What is the InChIKey of 4-[2-(1H-indazol-6-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is UXVQKIONVNQABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS/c1-2-12-10-18-21-14(12)9-11(1)16-19-13-3-8-24-15(13)17(20-16)22-4-6-23-7-5-22/h1-3,8-10H,4-7H2,(H,18,21).
What are the key properties of 4-[2-(1H-indazol-6-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine?
4-[2-(1H-indazol-6-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 337.41 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-indazol-6-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 25023744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).