2-amino-4-(4-fluorophenyl)-9-(4-methyl-2-phenyl-1,3-thiazol-5-yl)indeno[1,2-d]pyrimidin-5-one

C27H17FN4OS — CID 52920479

IUPAC2-amino-4-(4-fluorophenyl)-9-(4-methyl-2-phenyl-1,3-thiazol-5-yl)indeno[1,2-d]pyrimidin-5-one
SMILESCc1nc(-c2ccccc2)sc1-c1cccc2c1-c1nc(N)nc(-c3ccc(F)cc3)c1C2=O
InChIInChI=1S/C27H17FN4OS/c1-14-25(34-26(30-14)16-6-3-2-4-7-16)19-9-5-8-18-20(19)23-21(24(18)33)22(31-27(29)32-23)15-10-12-17(28)13-11-15/h2-13H,1H3,(H2,29,31,32)
InChIKeySUEBZVKUHMLGHL-UHFFFAOYSA-N
MW464.53 g/mol
LogP6.18
Rot. Bonds3

About 2-amino-4-(4-fluorophenyl)-9-(4-methyl-2-phenyl-1,3-thiazol-5-yl)indeno[1,2-d]pyrimidin-5-one

2-amino-4-(4-fluorophenyl)-9-(4-methyl-2-phenyl-1,3-thiazol-5-yl)indeno[1,2-d]pyrimidin-5-one (PubChem CID 52920479) has the molecular formula C27H17FN4OS and a molecular weight of 464.53 g/mol. Its IUPAC name is 2-amino-4-(4-fluorophenyl)-9-(4-methyl-2-phenyl-1,3-thiazol-5-yl)indeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-(4-fluorophenyl)-9-(4-methyl-2-phenyl-1,3-thiazol-5-yl)indeno[1,2-d]pyrimidin-5-one
PubChem CID52920479
Molecular FormulaC27H17FN4OS
Molecular Weight464.53 g/mol
Exact Mass464.11
IUPAC Name2-amino-4-(4-fluorophenyl)-9-(4-methyl-2-phenyl-1,3-thiazol-5-yl)indeno[1,2-d]pyrimidin-5-one
SMILESCc1nc(-c2ccccc2)sc1-c1cccc2c1-c1nc(N)nc(-c3ccc(F)cc3)c1C2=O
InChIInChI=1S/C27H17FN4OS/c1-14-25(34-26(30-14)16-6-3-2-4-7-16)19-9-5-8-18-20(19)23-21(24(18)33)22(31-27(29)32-23)15-10-12-17(28)13-11-15/h2-13H,1H3,(H2,29,31,32)
InChIKeySUEBZVKUHMLGHL-UHFFFAOYSA-N
XLogP6.18
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.53
LogP ≤ 56.18
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-(4-methyl-2-phenyl-1,3-thiazol-5-yl)indeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-(4-fluorophenyl)-9-(4-methyl-2-phenyl-1,3-thiazol-5-yl)indeno[1,2-d]pyrimidin-5-one (CID 52920479) is 2-amino-4-(4-fluorophenyl)-9-(4-methyl-2-phenyl-1,3-thiazol-5-yl)indeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-(4-fluorophenyl)-9-(4-methyl-2-phenyl-1,3-thiazol-5-yl)indeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-(4-fluorophenyl)-9-(4-methyl-2-phenyl-1,3-thiazol-5-yl)indeno[1,2-d]pyrimidin-5-one is Cc1nc(-c2ccccc2)sc1-c1cccc2c1-c1nc(N)nc(-c3ccc(F)cc3)c1C2=O.
What is the InChIKey of 2-amino-4-(4-fluorophenyl)-9-(4-methyl-2-phenyl-1,3-thiazol-5-yl)indeno[1,2-d]pyrimidin-5-one?
The InChIKey is SUEBZVKUHMLGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17FN4OS/c1-14-25(34-26(30-14)16-6-3-2-4-7-16)19-9-5-8-18-20(19)23-21(24(18)33)22(31-27(29)32-23)15-10-12-17(28)13-11-15/h2-13H,1H3,(H2,29,31,32).
What are the key properties of 2-amino-4-(4-fluorophenyl)-9-(4-methyl-2-phenyl-1,3-thiazol-5-yl)indeno[1,2-d]pyrimidin-5-one?
2-amino-4-(4-fluorophenyl)-9-(4-methyl-2-phenyl-1,3-thiazol-5-yl)indeno[1,2-d]pyrimidin-5-one has a molecular weight of 464.53 g/mol, XLogP of 6.18, 3 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-(4-methyl-2-phenyl-1,3-thiazol-5-yl)indeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 52920479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).