6-acetyl-8-cyclopentyl-2-[[5-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one

C27H31F2N7O2 — CID 129276115

About 6-acetyl-8-cyclopentyl-2-[[5-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one

6-acetyl-8-cyclopentyl-2-[[5-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 129276115) has the molecular formula C27H31F2N7O2 and a molecular weight of 523.59 g/mol. Its IUPAC name is 6-acetyl-8-cyclopentyl-2-[[5-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-acetyl-8-cyclopentyl-2-[[5-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 129276115
• Molecular Formula: C27H31F2N7O2
• Molecular Weight: 523.59 g/mol
• Exact Mass: 523.25
• IUPAC Name: 6-acetyl-8-cyclopentyl-2-[[5-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one
• SMILES: CC(=O)c1c(C)c2cnc(Nc3ccc(N4CC5CNCC(C4)C5(F)F)cn3)nc2n(C2CCCC2)c1=O
• InChI: InChI=1S/C27H31F2N7O2/c1-15-21-12-32-26(34-24(21)36(19-5-3-4-6-19)25(38)23(15)16(2)37)33-22-8-7-20(11-31-22)35-13-17-9-30-10-18(14-35)27(17,28)29/h7-8,11-12,17-19,30H,3-6,9-10,13-14H2,1-2H3,(H,31,32,33,34)
• InChIKey: QPRONZRNWIZACX-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 105.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.59
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-8-cyclopentyl-2-[[5-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-acetyl-8-cyclopentyl-2-[[5-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one (CID 129276115) is 6-acetyl-8-cyclopentyl-2-[[5-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-acetyl-8-cyclopentyl-2-[[5-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-acetyl-8-cyclopentyl-2-[[5-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one is CC(=O)c1c(C)c2cnc(Nc3ccc(N4CC5CNCC(C4)C5(F)F)cn3)nc2n(C2CCCC2)c1=O.

What is the InChIKey of 6-acetyl-8-cyclopentyl-2-[[5-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?

The InChIKey is QPRONZRNWIZACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F2N7O2/c1-15-21-12-32-26(34-24(21)36(19-5-3-4-6-19)25(38)23(15)16(2)37)33-22-8-7-20(11-31-22)35-13-17-9-30-10-18(14-35)27(17,28)29/h7-8,11-12,17-19,30H,3-6,9-10,13-14H2,1-2H3,(H,31,32,33,34).

What are the key properties of 6-acetyl-8-cyclopentyl-2-[[5-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one?

6-acetyl-8-cyclopentyl-2-[[5-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 523.59 g/mol, XLogP of 3.85, 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-2-[[5-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-2-pyridinyl]amino]-5-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 129276115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).