1-[2-[[4-[2-(cyclopentylamino)-4-methyl-1,3-thiazol-5-yl]-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone

C23H26FN7O2S — CID 126559099

About 1-[2-[[4-[2-(cyclopentylamino)-4-methyl-1,3-thiazol-5-yl]-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone

1-[2-[[4-[2-(cyclopentylamino)-4-methyl-1,3-thiazol-5-yl]-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone (PubChem CID 126559099) has the molecular formula C23H26FN7O2S and a molecular weight of 483.57 g/mol. Its IUPAC name is 1-[2-[[4-[2-(cyclopentylamino)-4-methyl-1,3-thiazol-5-yl]-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone.

Molecular Properties

• Compound Name: 1-[2-[[4-[2-(cyclopentylamino)-4-methyl-1,3-thiazol-5-yl]-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone
• PubChem CID: 126559099
• Molecular Formula: C23H26FN7O2S
• Molecular Weight: 483.57 g/mol
• Exact Mass: 483.19
• IUPAC Name: 1-[2-[[4-[2-(cyclopentylamino)-4-methyl-1,3-thiazol-5-yl]-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone
• SMILES: Cc1nc(NC2CCCC2)sc1-c1nc(Nc2ccc3c(n2)CCN(C(=O)CO)C3)ncc1F
• InChI: InChI=1S/C23H26FN7O2S/c1-13-21(34-23(26-13)27-15-4-2-3-5-15)20-16(24)10-25-22(30-20)29-18-7-6-14-11-31(19(33)12-32)9-8-17(14)28-18/h6-7,10,15,32H,2-5,8-9,11-12H2,1H3,(H,26,27)(H,25,28,29,30)
• InChIKey: LRKXBUQBAQODFU-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 116.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.57
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-[2-(cyclopentylamino)-4-methyl-1,3-thiazol-5-yl]-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone?

The IUPAC name of 1-[2-[[4-[2-(cyclopentylamino)-4-methyl-1,3-thiazol-5-yl]-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone (CID 126559099) is 1-[2-[[4-[2-(cyclopentylamino)-4-methyl-1,3-thiazol-5-yl]-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone.

What is the SMILES notation for 1-[2-[[4-[2-(cyclopentylamino)-4-methyl-1,3-thiazol-5-yl]-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone?

The canonical SMILES for 1-[2-[[4-[2-(cyclopentylamino)-4-methyl-1,3-thiazol-5-yl]-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone is Cc1nc(NC2CCCC2)sc1-c1nc(Nc2ccc3c(n2)CCN(C(=O)CO)C3)ncc1F.

What is the InChIKey of 1-[2-[[4-[2-(cyclopentylamino)-4-methyl-1,3-thiazol-5-yl]-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone?

The InChIKey is LRKXBUQBAQODFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN7O2S/c1-13-21(34-23(26-13)27-15-4-2-3-5-15)20-16(24)10-25-22(30-20)29-18-7-6-14-11-31(19(33)12-32)9-8-17(14)28-18/h6-7,10,15,32H,2-5,8-9,11-12H2,1H3,(H,26,27)(H,25,28,29,30).

What are the key properties of 1-[2-[[4-[2-(cyclopentylamino)-4-methyl-1,3-thiazol-5-yl]-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone?

1-[2-[[4-[2-(cyclopentylamino)-4-methyl-1,3-thiazol-5-yl]-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone has a molecular weight of 483.57 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[4-[2-(cyclopentylamino)-4-methyl-1,3-thiazol-5-yl]-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-hydroxyethanone is sourced from PubChem (CID 126559099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).