2-amino-3-[[3-[(3R,5R)-5-(3-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one

C20H17FN6O3 — CID 139486540

IUPAC2-amino-3-[[3-[(3R,5R)-5-(3-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESNc1nc2ncccc2c(=O)n1Cc1nc([C@@H]2CO[C@@H](c3cccc(F)c3)C2)no1
InChIInChI=1S/C20H17FN6O3/c21-13-4-1-3-11(7-13)15-8-12(10-29-15)17-24-16(30-26-17)9-27-19(28)14-5-2-6-23-18(14)25-20(27)22/h1-7,12,15H,8-10H2,(H2,22,23,25)/t12-,15+/m0/s1
InChIKeyKFLJBILIWFLJMW-SWLSCSKDSA-N
MW408.39 g/mol
LogP2.19
Rot. Bonds4

About 2-amino-3-[[3-[(3R,5R)-5-(3-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one

2-amino-3-[[3-[(3R,5R)-5-(3-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 139486540) has the molecular formula C20H17FN6O3 and a molecular weight of 408.39 g/mol. Its IUPAC name is 2-amino-3-[[3-[(3R,5R)-5-(3-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3-[[3-[(3R,5R)-5-(3-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
PubChem CID139486540
Molecular FormulaC20H17FN6O3
Molecular Weight408.39 g/mol
Exact Mass408.13
IUPAC Name2-amino-3-[[3-[(3R,5R)-5-(3-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESNc1nc2ncccc2c(=O)n1Cc1nc([C@@H]2CO[C@@H](c3cccc(F)c3)C2)no1
InChIInChI=1S/C20H17FN6O3/c21-13-4-1-3-11(7-13)15-8-12(10-29-15)17-24-16(30-26-17)9-27-19(28)14-5-2-6-23-18(14)25-20(27)22/h1-7,12,15H,8-10H2,(H2,22,23,25)/t12-,15+/m0/s1
InChIKeyKFLJBILIWFLJMW-SWLSCSKDSA-N
XLogP2.19
TPSA121.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-amino-3-[[3-[(3R,5R)-5-(3-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[3-[(3R,5R)-5-(3-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-3-[[3-[(3R,5R)-5-(3-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one (CID 139486540) is 2-amino-3-[[3-[(3R,5R)-5-(3-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-3-[[3-[(3R,5R)-5-(3-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-3-[[3-[(3R,5R)-5-(3-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one is Nc1nc2ncccc2c(=O)n1Cc1nc([C@@H]2CO[C@@H](c3cccc(F)c3)C2)no1.
What is the InChIKey of 2-amino-3-[[3-[(3R,5R)-5-(3-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is KFLJBILIWFLJMW-SWLSCSKDSA-N. The full InChI is InChI=1S/C20H17FN6O3/c21-13-4-1-3-11(7-13)15-8-12(10-29-15)17-24-16(30-26-17)9-27-19(28)14-5-2-6-23-18(14)25-20(27)22/h1-7,12,15H,8-10H2,(H2,22,23,25)/t12-,15+/m0/s1.
What are the key properties of 2-amino-3-[[3-[(3R,5R)-5-(3-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
2-amino-3-[[3-[(3R,5R)-5-(3-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 408.39 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[3-[(3R,5R)-5-(3-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 139486540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).