2-[2-(1H-indazol-4-yl)morpholin-4-yl]thieno[3,2-d]pyrimidine-6-carbonitrile

C18H14N6OS — CID 67191030

IUPAC2-[2-(1H-indazol-4-yl)morpholin-4-yl]thieno[3,2-d]pyrimidine-6-carbonitrile
SMILESN#Cc1cc2nc(N3CCOC(c4cccc5[nH]ncc45)C3)ncc2s1
InChIInChI=1S/C18H14N6OS/c19-7-11-6-15-17(26-11)9-20-18(22-15)24-4-5-25-16(10-24)12-2-1-3-14-13(12)8-21-23-14/h1-3,6,8-9,16H,4-5,10H2,(H,21,23)
InChIKeyKOBGERWSFFFAGY-UHFFFAOYSA-N
MW362.42 g/mol
LogP3.02
Rot. Bonds2

About 2-[2-(1H-indazol-4-yl)morpholin-4-yl]thieno[3,2-d]pyrimidine-6-carbonitrile

2-[2-(1H-indazol-4-yl)morpholin-4-yl]thieno[3,2-d]pyrimidine-6-carbonitrile (PubChem CID 67191030) has the molecular formula C18H14N6OS and a molecular weight of 362.42 g/mol. Its IUPAC name is 2-[2-(1H-indazol-4-yl)morpholin-4-yl]thieno[3,2-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name2-[2-(1H-indazol-4-yl)morpholin-4-yl]thieno[3,2-d]pyrimidine-6-carbonitrile
PubChem CID67191030
Molecular FormulaC18H14N6OS
Molecular Weight362.42 g/mol
Exact Mass362.09
IUPAC Name2-[2-(1H-indazol-4-yl)morpholin-4-yl]thieno[3,2-d]pyrimidine-6-carbonitrile
SMILESN#Cc1cc2nc(N3CCOC(c4cccc5[nH]ncc45)C3)ncc2s1
InChIInChI=1S/C18H14N6OS/c19-7-11-6-15-17(26-11)9-20-18(22-15)24-4-5-25-16(10-24)12-2-1-3-14-13(12)8-21-23-14/h1-3,6,8-9,16H,4-5,10H2,(H,21,23)
InChIKeyKOBGERWSFFFAGY-UHFFFAOYSA-N
XLogP3.02
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-indazol-4-yl)morpholin-4-yl]thieno[3,2-d]pyrimidine-6-carbonitrile?
The IUPAC name of 2-[2-(1H-indazol-4-yl)morpholin-4-yl]thieno[3,2-d]pyrimidine-6-carbonitrile (CID 67191030) is 2-[2-(1H-indazol-4-yl)morpholin-4-yl]thieno[3,2-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 2-[2-(1H-indazol-4-yl)morpholin-4-yl]thieno[3,2-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 2-[2-(1H-indazol-4-yl)morpholin-4-yl]thieno[3,2-d]pyrimidine-6-carbonitrile is N#Cc1cc2nc(N3CCOC(c4cccc5[nH]ncc45)C3)ncc2s1.
What is the InChIKey of 2-[2-(1H-indazol-4-yl)morpholin-4-yl]thieno[3,2-d]pyrimidine-6-carbonitrile?
The InChIKey is KOBGERWSFFFAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6OS/c19-7-11-6-15-17(26-11)9-20-18(22-15)24-4-5-25-16(10-24)12-2-1-3-14-13(12)8-21-23-14/h1-3,6,8-9,16H,4-5,10H2,(H,21,23).
What are the key properties of 2-[2-(1H-indazol-4-yl)morpholin-4-yl]thieno[3,2-d]pyrimidine-6-carbonitrile?
2-[2-(1H-indazol-4-yl)morpholin-4-yl]thieno[3,2-d]pyrimidine-6-carbonitrile has a molecular weight of 362.42 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-indazol-4-yl)morpholin-4-yl]thieno[3,2-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 67191030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).