N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[1-(3H-indol-2-yl)propan-2-ylamino]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

C24H24FN7S — CID 159108922

About N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[1-(3H-indol-2-yl)propan-2-ylamino]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[1-(3H-indol-2-yl)propan-2-ylamino]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 159108922) has the molecular formula C24H24FN7S and a molecular weight of 461.57 g/mol. Its IUPAC name is N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[1-(3H-indol-2-yl)propan-2-ylamino]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

• Compound Name: N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[1-(3H-indol-2-yl)propan-2-ylamino]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
• PubChem CID: 159108922
• Molecular Formula: C24H24FN7S
• Molecular Weight: 461.57 g/mol
• Exact Mass: 461.18
• IUPAC Name: N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[1-(3H-indol-2-yl)propan-2-ylamino]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
• SMILES: CC(CC1=Nc2ccccc2C1)NCCc1nc2c(NCc3ncccc3F)ncnc2s1
• InChI: InChI=1S/C24H24FN7S/c1-15(11-17-12-16-5-2-3-7-19(16)31-17)26-10-8-21-32-22-23(29-14-30-24(22)33-21)28-13-20-18(25)6-4-9-27-20/h2-7,9,14-15,26H,8,10-13H2,1H3,(H,28,29,30)
• InChIKey: HPZPKEVXXOVDCY-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 87.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.57
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[1-(3H-indol-2-yl)propan-2-ylamino]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?

The IUPAC name of N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[1-(3H-indol-2-yl)propan-2-ylamino]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 159108922) is N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[1-(3H-indol-2-yl)propan-2-ylamino]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

What is the SMILES notation for N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[1-(3H-indol-2-yl)propan-2-ylamino]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?

The canonical SMILES for N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[1-(3H-indol-2-yl)propan-2-ylamino]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is CC(CC1=Nc2ccccc2C1)NCCc1nc2c(NCc3ncccc3F)ncnc2s1.

What is the InChIKey of N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[1-(3H-indol-2-yl)propan-2-ylamino]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?

The InChIKey is HPZPKEVXXOVDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7S/c1-15(11-17-12-16-5-2-3-7-19(16)31-17)26-10-8-21-32-22-23(29-14-30-24(22)33-21)28-13-20-18(25)6-4-9-27-20/h2-7,9,14-15,26H,8,10-13H2,1H3,(H,28,29,30).

What are the key properties of N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[1-(3H-indol-2-yl)propan-2-ylamino]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?

N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[1-(3H-indol-2-yl)propan-2-ylamino]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 461.57 g/mol, XLogP of 4.47, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[1-(3H-indol-2-yl)propan-2-ylamino]ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 159108922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).