4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine

C26H27FN6OS — CID 164709784

IUPAC4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine
SMILESCc1c(-c2nc(Nc3ccc(N4CCOCC4)cn3)ncc2F)sc2c(C3CCCC3)ccnc12
InChIInChI=1S/C26H27FN6OS/c1-16-22-25(19(8-9-28-22)17-4-2-3-5-17)35-24(16)23-20(27)15-30-26(32-23)31-21-7-6-18(14-29-21)33-10-12-34-13-11-33/h6-9,14-15,17H,2-5,10-13H2,1H3,(H,29,30,31,32)
InChIKeyYCNJNKGZFKCWQO-UHFFFAOYSA-N
MW490.61 g/mol
LogP5.83
Rot. Bonds5

About 4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine

4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine (PubChem CID 164709784) has the molecular formula C26H27FN6OS and a molecular weight of 490.61 g/mol. Its IUPAC name is 4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine
PubChem CID164709784
Molecular FormulaC26H27FN6OS
Molecular Weight490.61 g/mol
Exact Mass490.20
IUPAC Name4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine
SMILESCc1c(-c2nc(Nc3ccc(N4CCOCC4)cn3)ncc2F)sc2c(C3CCCC3)ccnc12
InChIInChI=1S/C26H27FN6OS/c1-16-22-25(19(8-9-28-22)17-4-2-3-5-17)35-24(16)23-20(27)15-30-26(32-23)31-21-7-6-18(14-29-21)33-10-12-34-13-11-33/h6-9,14-15,17H,2-5,10-13H2,1H3,(H,29,30,31,32)
InChIKeyYCNJNKGZFKCWQO-UHFFFAOYSA-N
XLogP5.83
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.61
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine?
The IUPAC name of 4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine (CID 164709784) is 4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for 4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine is Cc1c(-c2nc(Nc3ccc(N4CCOCC4)cn3)ncc2F)sc2c(C3CCCC3)ccnc12.
What is the InChIKey of 4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine?
The InChIKey is YCNJNKGZFKCWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6OS/c1-16-22-25(19(8-9-28-22)17-4-2-3-5-17)35-24(16)23-20(27)15-30-26(32-23)31-21-7-6-18(14-29-21)33-10-12-34-13-11-33/h6-9,14-15,17H,2-5,10-13H2,1H3,(H,29,30,31,32).
What are the key properties of 4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine?
4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine has a molecular weight of 490.61 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-5-fluoro-N-(5-morpholin-4-yl-2-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 164709784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).