4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-N-[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine

C27H28FN7S — CID 164709719

About 4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-N-[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine

4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-N-[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine (PubChem CID 164709719) has the molecular formula C27H28FN7S and a molecular weight of 501.64 g/mol. Its IUPAC name is 4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-N-[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-N-[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine
• PubChem CID: 164709719
• Molecular Formula: C27H28FN7S
• Molecular Weight: 501.64 g/mol
• Exact Mass: 501.21
• IUPAC Name: 4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-N-[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine
• SMILES: Cc1c(-c2nc(Nc3ccc(N4CC5(CNC5)C4)cn3)ncc2F)sc2c(C3CCCC3)ccnc12
• InChI: InChI=1S/C27H28FN7S/c1-16-22-25(19(8-9-30-22)17-4-2-3-5-17)36-24(16)23-20(28)11-32-26(34-23)33-21-7-6-18(10-31-21)35-14-27(15-35)12-29-13-27/h6-11,17,29H,2-5,12-15H2,1H3,(H,31,32,33,34)
• InChIKey: XSGHDUXXOKFIKS-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 78.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.64
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-N-[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine?

The IUPAC name of 4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-N-[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine (CID 164709719) is 4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-N-[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine.

What is the SMILES notation for 4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-N-[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine?

The canonical SMILES for 4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-N-[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine is Cc1c(-c2nc(Nc3ccc(N4CC5(CNC5)C4)cn3)ncc2F)sc2c(C3CCCC3)ccnc12.

What is the InChIKey of 4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-N-[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine?

The InChIKey is XSGHDUXXOKFIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN7S/c1-16-22-25(19(8-9-30-22)17-4-2-3-5-17)36-24(16)23-20(28)11-32-26(34-23)33-21-7-6-18(10-31-21)35-14-27(15-35)12-29-13-27/h6-11,17,29H,2-5,12-15H2,1H3,(H,31,32,33,34).

What are the key properties of 4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-N-[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine?

4-(7-cyclopentyl-3-methylthieno[3,2-b]pyridin-2-yl)-N-[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine has a molecular weight of 501.64 g/mol, XLogP of 5.41, 5 rotatable bonds, 2 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)-N-[5-(2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 164709719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).