4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C23H29ClN6O2 — CID 154663237

About 4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 154663237) has the molecular formula C23H29ClN6O2 and a molecular weight of 456.98 g/mol. Its IUPAC name is 4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 154663237
• Molecular Formula: C23H29ClN6O2
• Molecular Weight: 456.98 g/mol
• Exact Mass: 456.20
• IUPAC Name: 4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
• SMILES: CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2CCC(=O)N3)CC1)c1ccc(Cl)cc1
• InChI: InChI=1S/C23H29ClN6O2/c1-15(2)25-13-19(16-3-5-17(24)6-4-16)23(32)30-11-9-29(10-12-30)22-18-7-8-20(31)28-21(18)26-14-27-22/h3-6,14-15,19,25H,7-13H2,1-2H3,(H,26,27,28,31)/t19-/m1/s1
• InChIKey: IDPUNYDJJOWODU-LJQANCHMSA-N
• XLogP: 2.45
• TPSA: 90.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.98
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 154663237) is 4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2CCC(=O)N3)CC1)c1ccc(Cl)cc1.

What is the InChIKey of 4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is IDPUNYDJJOWODU-LJQANCHMSA-N. The full InChI is InChI=1S/C23H29ClN6O2/c1-15(2)25-13-19(16-3-5-17(24)6-4-16)23(32)30-11-9-29(10-12-30)22-18-7-8-20(31)28-21(18)26-14-27-22/h3-6,14-15,19,25H,7-13H2,1-2H3,(H,26,27,28,31)/t19-/m1/s1.

What are the key properties of 4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?

4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 456.98 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]piperazin-1-yl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 154663237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).