N-(1H-indazol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine

C25H24N6O2S — CID 10174076

IUPACN-(1H-indazol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine
SMILESc1cc2nc(-c3ccc(OCCN4CCOCC4)cc3)nc(Nc3ccc4[nH]ncc4c3)c2s1
InChIInChI=1S/C25H24N6O2S/c1-4-20(33-13-10-31-8-11-32-12-9-31)5-2-17(1)24-28-22-7-14-34-23(22)25(29-24)27-19-3-6-21-18(15-19)16-26-30-21/h1-7,14-16H,8-13H2,(H,26,30)(H,27,28,29)
InChIKeyJCUXXRZOCBSXEA-UHFFFAOYSA-N
MW472.57 g/mol
LogP4.69
Rot. Bonds7

About N-(1H-indazol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine

N-(1H-indazol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 10174076) has the molecular formula C25H24N6O2S and a molecular weight of 472.57 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID10174076
Molecular FormulaC25H24N6O2S
Molecular Weight472.57 g/mol
Exact Mass472.17
IUPAC NameN-(1H-indazol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine
SMILESc1cc2nc(-c3ccc(OCCN4CCOCC4)cc3)nc(Nc3ccc4[nH]ncc4c3)c2s1
InChIInChI=1S/C25H24N6O2S/c1-4-20(33-13-10-31-8-11-32-12-9-31)5-2-17(1)24-28-22-7-14-34-23(22)25(29-24)27-19-3-6-21-18(15-19)16-26-30-21/h1-7,14-16H,8-13H2,(H,26,30)(H,27,28,29)
InChIKeyJCUXXRZOCBSXEA-UHFFFAOYSA-N
XLogP4.69
TPSA88.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(1H-indazol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine (CID 10174076) is N-(1H-indazol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1H-indazol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(1H-indazol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine is c1cc2nc(-c3ccc(OCCN4CCOCC4)cc3)nc(Nc3ccc4[nH]ncc4c3)c2s1.
What is the InChIKey of N-(1H-indazol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is JCUXXRZOCBSXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2S/c1-4-20(33-13-10-31-8-11-32-12-9-31)5-2-17(1)24-28-22-7-14-34-23(22)25(29-24)27-19-3-6-21-18(15-19)16-26-30-21/h1-7,14-16H,8-13H2,(H,26,30)(H,27,28,29).
What are the key properties of N-(1H-indazol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine?
N-(1H-indazol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 472.57 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 10174076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).