6-[[3-[(1R,3R)-3-(4-fluorophenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one

C19H18FN7O2 — CID 142422166

IUPAC6-[[3-[(1R,3R)-3-(4-fluorophenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one
SMILESCn1nnc2ncn(Cc3nc([C@@H]4CC[C@@H](c5ccc(F)cc5)C4)no3)c(=O)c21
InChIInChI=1S/C19H18FN7O2/c1-26-16-18(23-25-26)21-10-27(19(16)28)9-15-22-17(24-29-15)13-3-2-12(8-13)11-4-6-14(20)7-5-11/h4-7,10,12-13H,2-3,8-9H2,1H3/t12-,13-/m1/s1
InChIKeyGGMKYOGJIQCBEX-CHWSQXEVSA-N
MW395.40 g/mol
LogP2.15
Rot. Bonds4

About 6-[[3-[(1R,3R)-3-(4-fluorophenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one

6-[[3-[(1R,3R)-3-(4-fluorophenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one (PubChem CID 142422166) has the molecular formula C19H18FN7O2 and a molecular weight of 395.40 g/mol. Its IUPAC name is 6-[[3-[(1R,3R)-3-(4-fluorophenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[[3-[(1R,3R)-3-(4-fluorophenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one
PubChem CID142422166
Molecular FormulaC19H18FN7O2
Molecular Weight395.40 g/mol
Exact Mass395.15
IUPAC Name6-[[3-[(1R,3R)-3-(4-fluorophenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one
SMILESCn1nnc2ncn(Cc3nc([C@@H]4CC[C@@H](c5ccc(F)cc5)C4)no3)c(=O)c21
InChIInChI=1S/C19H18FN7O2/c1-26-16-18(23-25-26)21-10-27(19(16)28)9-15-22-17(24-29-15)13-3-2-12(8-13)11-4-6-14(20)7-5-11/h4-7,10,12-13H,2-3,8-9H2,1H3/t12-,13-/m1/s1
InChIKeyGGMKYOGJIQCBEX-CHWSQXEVSA-N
XLogP2.15
TPSA104.52 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.40
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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CID 142421520
CID 142421573
CID 142421573
CID 142421613
CID 142421613
CID 142421615
CID 142421615
CID 142421641
CID 142421641
CID 142421684
CID 142421684
CID 142421798
CID 142421798
CID 142421808
CID 142421808
CID 142421922
CID 142421922
CID 142422031
CID 142422031

Frequently Asked Questions

What is the IUPAC name of 6-[[3-[(1R,3R)-3-(4-fluorophenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 6-[[3-[(1R,3R)-3-(4-fluorophenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one (CID 142422166) is 6-[[3-[(1R,3R)-3-(4-fluorophenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 6-[[3-[(1R,3R)-3-(4-fluorophenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 6-[[3-[(1R,3R)-3-(4-fluorophenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one is Cn1nnc2ncn(Cc3nc([C@@H]4CC[C@@H](c5ccc(F)cc5)C4)no3)c(=O)c21.
What is the InChIKey of 6-[[3-[(1R,3R)-3-(4-fluorophenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one?
The InChIKey is GGMKYOGJIQCBEX-CHWSQXEVSA-N. The full InChI is InChI=1S/C19H18FN7O2/c1-26-16-18(23-25-26)21-10-27(19(16)28)9-15-22-17(24-29-15)13-3-2-12(8-13)11-4-6-14(20)7-5-11/h4-7,10,12-13H,2-3,8-9H2,1H3/t12-,13-/m1/s1.
What are the key properties of 6-[[3-[(1R,3R)-3-(4-fluorophenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one?
6-[[3-[(1R,3R)-3-(4-fluorophenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one has a molecular weight of 395.40 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[(1R,3R)-3-(4-fluorophenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 142422166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).