4-[4-[3-ethyl-5-(1-fluoroethyl)piperazin-1-yl]-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol

C26H32FN5O2 — CID 163223451

About 4-[4-[3-ethyl-5-(1-fluoroethyl)piperazin-1-yl]-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol

4-[4-[3-ethyl-5-(1-fluoroethyl)piperazin-1-yl]-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol (PubChem CID 163223451) has the molecular formula C26H32FN5O2 and a molecular weight of 465.57 g/mol. Its IUPAC name is 4-[4-[3-ethyl-5-(1-fluoroethyl)piperazin-1-yl]-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol.

Molecular Properties

• Compound Name: 4-[4-[3-ethyl-5-(1-fluoroethyl)piperazin-1-yl]-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
• PubChem CID: 163223451
• Molecular Formula: C26H32FN5O2
• Molecular Weight: 465.57 g/mol
• Exact Mass: 465.25
• IUPAC Name: 4-[4-[3-ethyl-5-(1-fluoroethyl)piperazin-1-yl]-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
• SMILES: CCC1CN(c2nc(OC)nc3c2CCN(c2cc(O)cc4ccccc24)C3)CC(C(C)F)N1
• InChI: InChI=1S/C26H32FN5O2/c1-4-18-13-32(14-22(28-18)16(2)27)25-21-9-10-31(15-23(21)29-26(30-25)34-3)24-12-19(33)11-17-7-5-6-8-20(17)24/h5-8,11-12,16,18,22,28,33H,4,9-10,13-15H2,1-3H3
• InChIKey: ZQDWOFQDBZGQOK-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 73.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.57
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-ethyl-5-(1-fluoroethyl)piperazin-1-yl]-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol?

The IUPAC name of 4-[4-[3-ethyl-5-(1-fluoroethyl)piperazin-1-yl]-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol (CID 163223451) is 4-[4-[3-ethyl-5-(1-fluoroethyl)piperazin-1-yl]-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol.

What is the SMILES notation for 4-[4-[3-ethyl-5-(1-fluoroethyl)piperazin-1-yl]-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol?

The canonical SMILES for 4-[4-[3-ethyl-5-(1-fluoroethyl)piperazin-1-yl]-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol is CCC1CN(c2nc(OC)nc3c2CCN(c2cc(O)cc4ccccc24)C3)CC(C(C)F)N1.

What is the InChIKey of 4-[4-[3-ethyl-5-(1-fluoroethyl)piperazin-1-yl]-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol?

The InChIKey is ZQDWOFQDBZGQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN5O2/c1-4-18-13-32(14-22(28-18)16(2)27)25-21-9-10-31(15-23(21)29-26(30-25)34-3)24-12-19(33)11-17-7-5-6-8-20(17)24/h5-8,11-12,16,18,22,28,33H,4,9-10,13-15H2,1-3H3.

What are the key properties of 4-[4-[3-ethyl-5-(1-fluoroethyl)piperazin-1-yl]-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol?

4-[4-[3-ethyl-5-(1-fluoroethyl)piperazin-1-yl]-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol has a molecular weight of 465.57 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[3-ethyl-5-(1-fluoroethyl)piperazin-1-yl]-2-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol is sourced from PubChem (CID 163223451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).