[4-[(2S,5R)-4-[bis(4-fluorophenyl)methyl]-5-ethyl-2-methylpiperazin-1-yl]pteridin-2-yl]hydrazine

C26H28F2N8 — CID 171048498

IUPAC[4-[(2S,5R)-4-[bis(4-fluorophenyl)methyl]-5-ethyl-2-methylpiperazin-1-yl]pteridin-2-yl]hydrazine
SMILESCC[C@@H]1CN(c2nc(NN)nc3nccnc23)[C@@H](C)CN1C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C26H28F2N8/c1-3-21-15-35(25-22-24(31-13-12-30-22)32-26(33-25)34-29)16(2)14-36(21)23(17-4-8-19(27)9-5-17)18-6-10-20(28)11-7-18/h4-13,16,21,23H,3,14-15,29H2,1-2H3,(H,31,32,33,34)/t16-,21+/m0/s1
InChIKeyQLYICLZGEGFYAR-HRAATJIYSA-N
MW490.56 g/mol
LogP4.06
Rot. Bonds6

About [4-[(2S,5R)-4-[bis(4-fluorophenyl)methyl]-5-ethyl-2-methylpiperazin-1-yl]pteridin-2-yl]hydrazine

[4-[(2S,5R)-4-[bis(4-fluorophenyl)methyl]-5-ethyl-2-methylpiperazin-1-yl]pteridin-2-yl]hydrazine (PubChem CID 171048498) has the molecular formula C26H28F2N8 and a molecular weight of 490.56 g/mol. Its IUPAC name is [4-[(2S,5R)-4-[bis(4-fluorophenyl)methyl]-5-ethyl-2-methylpiperazin-1-yl]pteridin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-[(2S,5R)-4-[bis(4-fluorophenyl)methyl]-5-ethyl-2-methylpiperazin-1-yl]pteridin-2-yl]hydrazine
PubChem CID171048498
Molecular FormulaC26H28F2N8
Molecular Weight490.56 g/mol
Exact Mass490.24
IUPAC Name[4-[(2S,5R)-4-[bis(4-fluorophenyl)methyl]-5-ethyl-2-methylpiperazin-1-yl]pteridin-2-yl]hydrazine
SMILESCC[C@@H]1CN(c2nc(NN)nc3nccnc23)[C@@H](C)CN1C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C26H28F2N8/c1-3-21-15-35(25-22-24(31-13-12-30-22)32-26(33-25)34-29)16(2)14-36(21)23(17-4-8-19(27)9-5-17)18-6-10-20(28)11-7-18/h4-13,16,21,23H,3,14-15,29H2,1-2H3,(H,31,32,33,34)/t16-,21+/m0/s1
InChIKeyQLYICLZGEGFYAR-HRAATJIYSA-N
XLogP4.06
TPSA96.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[(2S,5R)-4-[bis(4-fluorophenyl)methyl]-5-ethyl-2-methylpiperazin-1-yl]pteridin-2-yl]hydrazine?
The IUPAC name of [4-[(2S,5R)-4-[bis(4-fluorophenyl)methyl]-5-ethyl-2-methylpiperazin-1-yl]pteridin-2-yl]hydrazine (CID 171048498) is [4-[(2S,5R)-4-[bis(4-fluorophenyl)methyl]-5-ethyl-2-methylpiperazin-1-yl]pteridin-2-yl]hydrazine.
What is the SMILES notation for [4-[(2S,5R)-4-[bis(4-fluorophenyl)methyl]-5-ethyl-2-methylpiperazin-1-yl]pteridin-2-yl]hydrazine?
The canonical SMILES for [4-[(2S,5R)-4-[bis(4-fluorophenyl)methyl]-5-ethyl-2-methylpiperazin-1-yl]pteridin-2-yl]hydrazine is CC[C@@H]1CN(c2nc(NN)nc3nccnc23)[C@@H](C)CN1C(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of [4-[(2S,5R)-4-[bis(4-fluorophenyl)methyl]-5-ethyl-2-methylpiperazin-1-yl]pteridin-2-yl]hydrazine?
The InChIKey is QLYICLZGEGFYAR-HRAATJIYSA-N. The full InChI is InChI=1S/C26H28F2N8/c1-3-21-15-35(25-22-24(31-13-12-30-22)32-26(33-25)34-29)16(2)14-36(21)23(17-4-8-19(27)9-5-17)18-6-10-20(28)11-7-18/h4-13,16,21,23H,3,14-15,29H2,1-2H3,(H,31,32,33,34)/t16-,21+/m0/s1.
What are the key properties of [4-[(2S,5R)-4-[bis(4-fluorophenyl)methyl]-5-ethyl-2-methylpiperazin-1-yl]pteridin-2-yl]hydrazine?
[4-[(2S,5R)-4-[bis(4-fluorophenyl)methyl]-5-ethyl-2-methylpiperazin-1-yl]pteridin-2-yl]hydrazine has a molecular weight of 490.56 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2S,5R)-4-[bis(4-fluorophenyl)methyl]-5-ethyl-2-methylpiperazin-1-yl]pteridin-2-yl]hydrazine is sourced from PubChem (CID 171048498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).