2-amino-4-(4-fluorophenyl)-8-(4-methylpiperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one

C23H20FN5O2 — CID 46889228

IUPAC2-amino-4-(4-fluorophenyl)-8-(4-methylpiperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one
SMILESCN1CCN(C(=O)c2ccc3c(c2)-c2nc(N)nc(-c4ccc(F)cc4)c2C3=O)CC1
InChIInChI=1S/C23H20FN5O2/c1-28-8-10-29(11-9-28)22(31)14-4-7-16-17(12-14)20-18(21(16)30)19(26-23(25)27-20)13-2-5-15(24)6-3-13/h2-7,12H,8-11H2,1H3,(H2,25,26,27)
InChIKeyMWRVYQSMUIMRJB-UHFFFAOYSA-N
MW417.44 g/mol
LogP2.46
Rot. Bonds2

About 2-amino-4-(4-fluorophenyl)-8-(4-methylpiperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one

2-amino-4-(4-fluorophenyl)-8-(4-methylpiperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one (PubChem CID 46889228) has the molecular formula C23H20FN5O2 and a molecular weight of 417.44 g/mol. Its IUPAC name is 2-amino-4-(4-fluorophenyl)-8-(4-methylpiperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-(4-fluorophenyl)-8-(4-methylpiperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one
PubChem CID46889228
Molecular FormulaC23H20FN5O2
Molecular Weight417.44 g/mol
Exact Mass417.16
IUPAC Name2-amino-4-(4-fluorophenyl)-8-(4-methylpiperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one
SMILESCN1CCN(C(=O)c2ccc3c(c2)-c2nc(N)nc(-c4ccc(F)cc4)c2C3=O)CC1
InChIInChI=1S/C23H20FN5O2/c1-28-8-10-29(11-9-28)22(31)14-4-7-16-17(12-14)20-18(21(16)30)19(26-23(25)27-20)13-2-5-15(24)6-3-13/h2-7,12H,8-11H2,1H3,(H2,25,26,27)
InChIKeyMWRVYQSMUIMRJB-UHFFFAOYSA-N
XLogP2.46
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-4-(4-fluorophenyl)-8-(4-methylpiperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one 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 2-amino-4-(4-fluorophenyl)-8-(4-methylpiperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-(4-fluorophenyl)-8-(4-methylpiperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one (CID 46889228) is 2-amino-4-(4-fluorophenyl)-8-(4-methylpiperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-(4-fluorophenyl)-8-(4-methylpiperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-(4-fluorophenyl)-8-(4-methylpiperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one is CN1CCN(C(=O)c2ccc3c(c2)-c2nc(N)nc(-c4ccc(F)cc4)c2C3=O)CC1.
What is the InChIKey of 2-amino-4-(4-fluorophenyl)-8-(4-methylpiperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one?
The InChIKey is MWRVYQSMUIMRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2/c1-28-8-10-29(11-9-28)22(31)14-4-7-16-17(12-14)20-18(21(16)30)19(26-23(25)27-20)13-2-5-15(24)6-3-13/h2-7,12H,8-11H2,1H3,(H2,25,26,27).
What are the key properties of 2-amino-4-(4-fluorophenyl)-8-(4-methylpiperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one?
2-amino-4-(4-fluorophenyl)-8-(4-methylpiperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one has a molecular weight of 417.44 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-fluorophenyl)-8-(4-methylpiperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 46889228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).