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

C20H16ClN5O3 — CID 139486628

IUPAC3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1c2cccnc2ncn1Cc1nc([C@@H]2CO[C@@H](c3ccc(Cl)cc3)C2)no1
InChIInChI=1S/C20H16ClN5O3/c21-14-5-3-12(4-6-14)16-8-13(10-28-16)18-24-17(29-25-18)9-26-11-23-19-15(20(26)27)2-1-7-22-19/h1-7,11,13,16H,8-10H2/t13-,16+/m0/s1
InChIKeyJMPQCPPXHXSEIC-XJKSGUPXSA-N
MW409.83 g/mol
LogP3.12
Rot. Bonds4

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

3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 139486628) has the molecular formula C20H16ClN5O3 and a molecular weight of 409.83 g/mol. Its IUPAC name is 3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
PubChem CID139486628
Molecular FormulaC20H16ClN5O3
Molecular Weight409.83 g/mol
Exact Mass409.09
IUPAC Name3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1c2cccnc2ncn1Cc1nc([C@@H]2CO[C@@H](c3ccc(Cl)cc3)C2)no1
InChIInChI=1S/C20H16ClN5O3/c21-14-5-3-12(4-6-14)16-8-13(10-28-16)18-24-17(29-25-18)9-26-11-23-19-15(20(26)27)2-1-7-22-19/h1-7,11,13,16H,8-10H2/t13-,16+/m0/s1
InChIKeyJMPQCPPXHXSEIC-XJKSGUPXSA-N
XLogP3.12
TPSA95.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.83
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one (CID 139486628) is 3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one is O=c1c2cccnc2ncn1Cc1nc([C@@H]2CO[C@@H](c3ccc(Cl)cc3)C2)no1.
What is the InChIKey of 3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is JMPQCPPXHXSEIC-XJKSGUPXSA-N. The full InChI is InChI=1S/C20H16ClN5O3/c21-14-5-3-12(4-6-14)16-8-13(10-28-16)18-24-17(29-25-18)9-26-11-23-19-15(20(26)27)2-1-7-22-19/h1-7,11,13,16H,8-10H2/t13-,16+/m0/s1.
What are the key properties of 3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 409.83 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 139486628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).