6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[(6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one

C27H31N7O3 — CID 145063331

About 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[(6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one

6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[(6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 145063331) has the molecular formula C27H31N7O3 and a molecular weight of 501.59 g/mol. Its IUPAC name is 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[(6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[(6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 145063331
• Molecular Formula: C27H31N7O3
• Molecular Weight: 501.59 g/mol
• Exact Mass: 501.25
• IUPAC Name: 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[(6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one
• SMILES: CC(=O)c1c(C)c2cnc(Nc3ccc(N4CC5CC[C@H](CC4=O)N5)cn3)nc2n(C2CCCC2)c1=O
• InChI: InChI=1S/C27H31N7O3/c1-15-21-13-29-27(32-25(21)34(19-5-3-4-6-19)26(37)24(15)16(2)35)31-22-10-9-20(12-28-22)33-14-18-8-7-17(30-18)11-23(33)36/h9-10,12-13,17-19,30H,3-8,11,14H2,1-2H3,(H,28,29,31,32)/t17-,18?/m1/s1
• InChIKey: DSYCTESHOSUQPC-QNSVNVJESA-N
• XLogP: 3.41
• TPSA: 122.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.59
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[(6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[(6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one (CID 145063331) is 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[(6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[(6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[(6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one is CC(=O)c1c(C)c2cnc(Nc3ccc(N4CC5CC[C@H](CC4=O)N5)cn3)nc2n(C2CCCC2)c1=O.

What is the InChIKey of 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[(6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is DSYCTESHOSUQPC-QNSVNVJESA-N. The full InChI is InChI=1S/C27H31N7O3/c1-15-21-13-29-27(32-25(21)34(19-5-3-4-6-19)26(37)24(15)16(2)35)31-22-10-9-20(12-28-22)33-14-18-8-7-17(30-18)11-23(33)36/h9-10,12-13,17-19,30H,3-8,11,14H2,1-2H3,(H,28,29,31,32)/t17-,18?/m1/s1.

What are the key properties of 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[(6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one?

6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[(6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 501.59 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[(6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 145063331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).