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

C23H17FN4OS — CID 51353560

IUPAC2-amino-9-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one
SMILESCc1nc(C)c(Cc2cccc3c2-c2nc(N)nc(-c4ccc(F)cc4)c2C3=O)s1
InChIInChI=1S/C23H17FN4OS/c1-11-17(30-12(2)26-11)10-14-4-3-5-16-18(14)21-19(22(16)29)20(27-23(25)28-21)13-6-8-15(24)9-7-13/h3-9H,10H2,1-2H3,(H2,25,27,28)
InChIKeyBNQKGDQGOKVUDE-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.74
Rot. Bonds3

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

2-amino-9-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one (PubChem CID 51353560) has the molecular formula C23H17FN4OS and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-amino-9-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-9-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one
PubChem CID51353560
Molecular FormulaC23H17FN4OS
Molecular Weight416.48 g/mol
Exact Mass416.11
IUPAC Name2-amino-9-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one
SMILESCc1nc(C)c(Cc2cccc3c2-c2nc(N)nc(-c4ccc(F)cc4)c2C3=O)s1
InChIInChI=1S/C23H17FN4OS/c1-11-17(30-12(2)26-11)10-14-4-3-5-16-18(14)21-19(22(16)29)20(27-23(25)28-21)13-6-8-15(24)9-7-13/h3-9H,10H2,1-2H3,(H2,25,27,28)
InChIKeyBNQKGDQGOKVUDE-UHFFFAOYSA-N
XLogP4.74
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-9-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-amino-9-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one (CID 51353560) is 2-amino-9-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-9-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-9-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one is Cc1nc(C)c(Cc2cccc3c2-c2nc(N)nc(-c4ccc(F)cc4)c2C3=O)s1.
What is the InChIKey of 2-amino-9-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one?
The InChIKey is BNQKGDQGOKVUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4OS/c1-11-17(30-12(2)26-11)10-14-4-3-5-16-18(14)21-19(22(16)29)20(27-23(25)28-21)13-6-8-15(24)9-7-13/h3-9H,10H2,1-2H3,(H2,25,27,28).
What are the key properties of 2-amino-9-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one?
2-amino-9-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one has a molecular weight of 416.48 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 51353560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).