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

C24H22FN5O2 — CID 46889230

IUPAC2-amino-8-(4-ethylpiperazine-1-carbonyl)-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one
SMILESCCN1CCN(C(=O)c2ccc3c(c2)-c2nc(N)nc(-c4ccc(F)cc4)c2C3=O)CC1
InChIInChI=1S/C24H22FN5O2/c1-2-29-9-11-30(12-10-29)23(32)15-5-8-17-18(13-15)21-19(22(17)31)20(27-24(26)28-21)14-3-6-16(25)7-4-14/h3-8,13H,2,9-12H2,1H3,(H2,26,27,28)
InChIKeyLOSSCOJTSWWTQO-UHFFFAOYSA-N
MW431.47 g/mol
LogP2.85
Rot. Bonds3

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

2-amino-8-(4-ethylpiperazine-1-carbonyl)-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one (PubChem CID 46889230) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is 2-amino-8-(4-ethylpiperazine-1-carbonyl)-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-8-(4-ethylpiperazine-1-carbonyl)-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one
PubChem CID46889230
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name2-amino-8-(4-ethylpiperazine-1-carbonyl)-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one
SMILESCCN1CCN(C(=O)c2ccc3c(c2)-c2nc(N)nc(-c4ccc(F)cc4)c2C3=O)CC1
InChIInChI=1S/C24H22FN5O2/c1-2-29-9-11-30(12-10-29)23(32)15-5-8-17-18(13-15)21-19(22(17)31)20(27-24(26)28-21)14-3-6-16(25)7-4-14/h3-8,13H,2,9-12H2,1H3,(H2,26,27,28)
InChIKeyLOSSCOJTSWWTQO-UHFFFAOYSA-N
XLogP2.85
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-(4-ethylpiperazine-1-carbonyl)-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-amino-8-(4-ethylpiperazine-1-carbonyl)-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one (CID 46889230) is 2-amino-8-(4-ethylpiperazine-1-carbonyl)-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-8-(4-ethylpiperazine-1-carbonyl)-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-8-(4-ethylpiperazine-1-carbonyl)-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one is CCN1CCN(C(=O)c2ccc3c(c2)-c2nc(N)nc(-c4ccc(F)cc4)c2C3=O)CC1.
What is the InChIKey of 2-amino-8-(4-ethylpiperazine-1-carbonyl)-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one?
The InChIKey is LOSSCOJTSWWTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c1-2-29-9-11-30(12-10-29)23(32)15-5-8-17-18(13-15)21-19(22(17)31)20(27-24(26)28-21)14-3-6-16(25)7-4-14/h3-8,13H,2,9-12H2,1H3,(H2,26,27,28).
What are the key properties of 2-amino-8-(4-ethylpiperazine-1-carbonyl)-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one?
2-amino-8-(4-ethylpiperazine-1-carbonyl)-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one has a molecular weight of 431.47 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-(4-ethylpiperazine-1-carbonyl)-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 46889230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).