9a-(4-fluorophenyl)-2-pyrimidin-2-yl-3,4,6,7,8,9-hexahydro-1H-pyrido[1,2-a]pyrazine

C18H21FN4 — CID 173316726

IUPAC9a-(4-fluorophenyl)-2-pyrimidin-2-yl-3,4,6,7,8,9-hexahydro-1H-pyrido[1,2-a]pyrazine
SMILESFc1ccc(C23CCCCN2CCN(c2ncccn2)C3)cc1
InChIInChI=1S/C18H21FN4/c19-16-6-4-15(5-7-16)18-8-1-2-11-23(18)13-12-22(14-18)17-20-9-3-10-21-17/h3-7,9-10H,1-2,8,11-14H2
InChIKeyRQRWYJNTJWNEMI-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.82
Rot. Bonds2

About 9a-(4-fluorophenyl)-2-pyrimidin-2-yl-3,4,6,7,8,9-hexahydro-1H-pyrido[1,2-a]pyrazine

9a-(4-fluorophenyl)-2-pyrimidin-2-yl-3,4,6,7,8,9-hexahydro-1H-pyrido[1,2-a]pyrazine (PubChem CID 173316726) has the molecular formula C18H21FN4 and a molecular weight of 312.39 g/mol. Its IUPAC name is 9a-(4-fluorophenyl)-2-pyrimidin-2-yl-3,4,6,7,8,9-hexahydro-1H-pyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name9a-(4-fluorophenyl)-2-pyrimidin-2-yl-3,4,6,7,8,9-hexahydro-1H-pyrido[1,2-a]pyrazine
PubChem CID173316726
Molecular FormulaC18H21FN4
Molecular Weight312.39 g/mol
Exact Mass312.18
IUPAC Name9a-(4-fluorophenyl)-2-pyrimidin-2-yl-3,4,6,7,8,9-hexahydro-1H-pyrido[1,2-a]pyrazine
SMILESFc1ccc(C23CCCCN2CCN(c2ncccn2)C3)cc1
InChIInChI=1S/C18H21FN4/c19-16-6-4-15(5-7-16)18-8-1-2-11-23(18)13-12-22(14-18)17-20-9-3-10-21-17/h3-7,9-10H,1-2,8,11-14H2
InChIKeyRQRWYJNTJWNEMI-UHFFFAOYSA-N
XLogP2.82
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9a-(4-fluorophenyl)-2-pyrimidin-2-yl-3,4,6,7,8,9-hexahydro-1H-pyrido[1,2-a]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9a-(4-fluorophenyl)-2-pyrimidin-2-yl-3,4,6,7,8,9-hexahydro-1H-pyrido[1,2-a]pyrazine?
The IUPAC name of 9a-(4-fluorophenyl)-2-pyrimidin-2-yl-3,4,6,7,8,9-hexahydro-1H-pyrido[1,2-a]pyrazine (CID 173316726) is 9a-(4-fluorophenyl)-2-pyrimidin-2-yl-3,4,6,7,8,9-hexahydro-1H-pyrido[1,2-a]pyrazine.
What is the SMILES notation for 9a-(4-fluorophenyl)-2-pyrimidin-2-yl-3,4,6,7,8,9-hexahydro-1H-pyrido[1,2-a]pyrazine?
The canonical SMILES for 9a-(4-fluorophenyl)-2-pyrimidin-2-yl-3,4,6,7,8,9-hexahydro-1H-pyrido[1,2-a]pyrazine is Fc1ccc(C23CCCCN2CCN(c2ncccn2)C3)cc1.
What is the InChIKey of 9a-(4-fluorophenyl)-2-pyrimidin-2-yl-3,4,6,7,8,9-hexahydro-1H-pyrido[1,2-a]pyrazine?
The InChIKey is RQRWYJNTJWNEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4/c19-16-6-4-15(5-7-16)18-8-1-2-11-23(18)13-12-22(14-18)17-20-9-3-10-21-17/h3-7,9-10H,1-2,8,11-14H2.
What are the key properties of 9a-(4-fluorophenyl)-2-pyrimidin-2-yl-3,4,6,7,8,9-hexahydro-1H-pyrido[1,2-a]pyrazine?
9a-(4-fluorophenyl)-2-pyrimidin-2-yl-3,4,6,7,8,9-hexahydro-1H-pyrido[1,2-a]pyrazine has a molecular weight of 312.39 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9a-(4-fluorophenyl)-2-pyrimidin-2-yl-3,4,6,7,8,9-hexahydro-1H-pyrido[1,2-a]pyrazine is sourced from PubChem (CID 173316726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).