7-(4-fluoro-2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine

C24H27FN6OS — CID 126495624

IUPAC7-(4-fluoro-2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine
SMILESCOc1cc(F)ccc1-c1c(C)sc2cnc(Nc3cnn(CCCN4CCCC4)c3)nc12
InChIInChI=1S/C24H27FN6OS/c1-16-22(19-7-6-17(25)12-20(19)32-2)23-21(33-16)14-26-24(29-23)28-18-13-27-31(15-18)11-5-10-30-8-3-4-9-30/h6-7,12-15H,3-5,8-11H2,1-2H3,(H,26,28,29)
InChIKeyWLXGEKUDLSKANM-UHFFFAOYSA-N
MW466.59 g/mol
LogP5.24
Rot. Bonds8

About 7-(4-fluoro-2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine

7-(4-fluoro-2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine (PubChem CID 126495624) has the molecular formula C24H27FN6OS and a molecular weight of 466.59 g/mol. Its IUPAC name is 7-(4-fluoro-2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-(4-fluoro-2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine
PubChem CID126495624
Molecular FormulaC24H27FN6OS
Molecular Weight466.59 g/mol
Exact Mass466.20
IUPAC Name7-(4-fluoro-2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine
SMILESCOc1cc(F)ccc1-c1c(C)sc2cnc(Nc3cnn(CCCN4CCCC4)c3)nc12
InChIInChI=1S/C24H27FN6OS/c1-16-22(19-7-6-17(25)12-20(19)32-2)23-21(33-16)14-26-24(29-23)28-18-13-27-31(15-18)11-5-10-30-8-3-4-9-30/h6-7,12-15H,3-5,8-11H2,1-2H3,(H,26,28,29)
InChIKeyWLXGEKUDLSKANM-UHFFFAOYSA-N
XLogP5.24
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.59
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluoro-2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of 7-(4-fluoro-2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine (CID 126495624) is 7-(4-fluoro-2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 7-(4-fluoro-2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 7-(4-fluoro-2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine is COc1cc(F)ccc1-c1c(C)sc2cnc(Nc3cnn(CCCN4CCCC4)c3)nc12.
What is the InChIKey of 7-(4-fluoro-2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine?
The InChIKey is WLXGEKUDLSKANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6OS/c1-16-22(19-7-6-17(25)12-20(19)32-2)23-21(33-16)14-26-24(29-23)28-18-13-27-31(15-18)11-5-10-30-8-3-4-9-30/h6-7,12-15H,3-5,8-11H2,1-2H3,(H,26,28,29).
What are the key properties of 7-(4-fluoro-2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine?
7-(4-fluoro-2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine has a molecular weight of 466.59 g/mol, XLogP of 5.24, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluoro-2-methoxyphenyl)-6-methyl-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 126495624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).