2-amino-4-(4-fluorophenyl)-9-(1-methylpyrazol-4-yl)indeno[1,2-d]pyrimidin-5-one

C21H14FN5O — CID 67199232

IUPAC2-amino-4-(4-fluorophenyl)-9-(1-methylpyrazol-4-yl)indeno[1,2-d]pyrimidin-5-one
SMILESCn1cc(-c2cccc3c2-c2nc(N)nc(-c4ccc(F)cc4)c2C3=O)cn1
InChIInChI=1S/C21H14FN5O/c1-27-10-12(9-24-27)14-3-2-4-15-16(14)19-17(20(15)28)18(25-21(23)26-19)11-5-7-13(22)8-6-11/h2-10H,1H3,(H2,23,25,26)
InChIKeyDZNKKEAMLRHYPI-UHFFFAOYSA-N
MW371.38 g/mol
LogP3.48
Rot. Bonds2

About 2-amino-4-(4-fluorophenyl)-9-(1-methylpyrazol-4-yl)indeno[1,2-d]pyrimidin-5-one

2-amino-4-(4-fluorophenyl)-9-(1-methylpyrazol-4-yl)indeno[1,2-d]pyrimidin-5-one (PubChem CID 67199232) has the molecular formula C21H14FN5O and a molecular weight of 371.38 g/mol. Its IUPAC name is 2-amino-4-(4-fluorophenyl)-9-(1-methylpyrazol-4-yl)indeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-(4-fluorophenyl)-9-(1-methylpyrazol-4-yl)indeno[1,2-d]pyrimidin-5-one
PubChem CID67199232
Molecular FormulaC21H14FN5O
Molecular Weight371.38 g/mol
Exact Mass371.12
IUPAC Name2-amino-4-(4-fluorophenyl)-9-(1-methylpyrazol-4-yl)indeno[1,2-d]pyrimidin-5-one
SMILESCn1cc(-c2cccc3c2-c2nc(N)nc(-c4ccc(F)cc4)c2C3=O)cn1
InChIInChI=1S/C21H14FN5O/c1-27-10-12(9-24-27)14-3-2-4-15-16(14)19-17(20(15)28)18(25-21(23)26-19)11-5-7-13(22)8-6-11/h2-10H,1H3,(H2,23,25,26)
InChIKeyDZNKKEAMLRHYPI-UHFFFAOYSA-N
XLogP3.48
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-fluorophenyl)-9-(1-methylpyrazol-4-yl)indeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-(4-fluorophenyl)-9-(1-methylpyrazol-4-yl)indeno[1,2-d]pyrimidin-5-one (CID 67199232) is 2-amino-4-(4-fluorophenyl)-9-(1-methylpyrazol-4-yl)indeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-(4-fluorophenyl)-9-(1-methylpyrazol-4-yl)indeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-(4-fluorophenyl)-9-(1-methylpyrazol-4-yl)indeno[1,2-d]pyrimidin-5-one is Cn1cc(-c2cccc3c2-c2nc(N)nc(-c4ccc(F)cc4)c2C3=O)cn1.
What is the InChIKey of 2-amino-4-(4-fluorophenyl)-9-(1-methylpyrazol-4-yl)indeno[1,2-d]pyrimidin-5-one?
The InChIKey is DZNKKEAMLRHYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN5O/c1-27-10-12(9-24-27)14-3-2-4-15-16(14)19-17(20(15)28)18(25-21(23)26-19)11-5-7-13(22)8-6-11/h2-10H,1H3,(H2,23,25,26).
What are the key properties of 2-amino-4-(4-fluorophenyl)-9-(1-methylpyrazol-4-yl)indeno[1,2-d]pyrimidin-5-one?
2-amino-4-(4-fluorophenyl)-9-(1-methylpyrazol-4-yl)indeno[1,2-d]pyrimidin-5-one has a molecular weight of 371.38 g/mol, XLogP of 3.48, 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)-9-(1-methylpyrazol-4-yl)indeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 67199232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).