tert-butyl 2-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-5-oxo-7,8-dihydro-1,6-naphthyridine-6-carboxylate

C28H32N6O5 — CID 129072579

About tert-butyl 2-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-5-oxo-7,8-dihydro-1,6-naphthyridine-6-carboxylate

tert-butyl 2-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-5-oxo-7,8-dihydro-1,6-naphthyridine-6-carboxylate (PubChem CID 129072579) has the molecular formula C28H32N6O5 and a molecular weight of 532.60 g/mol. Its IUPAC name is tert-butyl 2-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-5-oxo-7,8-dihydro-1,6-naphthyridine-6-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 2-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-5-oxo-7,8-dihydro-1,6-naphthyridine-6-carboxylate
• PubChem CID: 129072579
• Molecular Formula: C28H32N6O5
• Molecular Weight: 532.60 g/mol
• Exact Mass: 532.24
• IUPAC Name: tert-butyl 2-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-5-oxo-7,8-dihydro-1,6-naphthyridine-6-carboxylate
• SMILES: CC(=O)c1c(C)c2cnc(Nc3ccc4c(n3)CCN(C(=O)OC(C)(C)C)C4=O)nc2n(C2CCCC2)c1=O
• InChI: InChI=1S/C28H32N6O5/c1-15-19-14-29-26(32-23(19)34(17-8-6-7-9-17)25(37)22(15)16(2)35)31-21-11-10-18-20(30-21)12-13-33(24(18)36)27(38)39-28(3,4)5/h10-11,14,17H,6-9,12-13H2,1-5H3,(H,29,30,31,32)
• InChIKey: VJXOJPMROLUHDI-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 136.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.60
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-5-oxo-7,8-dihydro-1,6-naphthyridine-6-carboxylate?

The IUPAC name of tert-butyl 2-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-5-oxo-7,8-dihydro-1,6-naphthyridine-6-carboxylate (CID 129072579) is tert-butyl 2-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-5-oxo-7,8-dihydro-1,6-naphthyridine-6-carboxylate.

What is the SMILES notation for tert-butyl 2-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-5-oxo-7,8-dihydro-1,6-naphthyridine-6-carboxylate?

The canonical SMILES for tert-butyl 2-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-5-oxo-7,8-dihydro-1,6-naphthyridine-6-carboxylate is CC(=O)c1c(C)c2cnc(Nc3ccc4c(n3)CCN(C(=O)OC(C)(C)C)C4=O)nc2n(C2CCCC2)c1=O.

What is the InChIKey of tert-butyl 2-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-5-oxo-7,8-dihydro-1,6-naphthyridine-6-carboxylate?

The InChIKey is VJXOJPMROLUHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O5/c1-15-19-14-29-26(32-23(19)34(17-8-6-7-9-17)25(37)22(15)16(2)35)31-21-11-10-18-20(30-21)12-13-33(24(18)36)27(38)39-28(3,4)5/h10-11,14,17H,6-9,12-13H2,1-5H3,(H,29,30,31,32).

What are the key properties of tert-butyl 2-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-5-oxo-7,8-dihydro-1,6-naphthyridine-6-carboxylate?

tert-butyl 2-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-5-oxo-7,8-dihydro-1,6-naphthyridine-6-carboxylate has a molecular weight of 532.60 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-5-oxo-7,8-dihydro-1,6-naphthyridine-6-carboxylate is sourced from PubChem (CID 129072579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).