3-[[3-[(1R,5S)-3-(4-chloro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one

C20H16ClN7O2 — CID 142421701

IUPAC3-[[3-[(1R,5S)-3-(4-chloro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1c2cccnc2ncn1Cc1nc(C2[C@H]3CN(c4cc(Cl)ccn4)C[C@@H]23)no1
InChIInChI=1S/C20H16ClN7O2/c21-11-3-5-22-15(6-11)27-7-13-14(8-27)17(13)19-25-16(30-26-19)9-28-10-24-18-12(20(28)29)2-1-4-23-18/h1-6,10,13-14,17H,7-9H2/t13-,14+,17?
InChIKeyXATNITDFSRCWBI-VMZNBEPHSA-N
MW421.85 g/mol
LogP2.12
Rot. Bonds4

About 3-[[3-[(1R,5S)-3-(4-chloro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one

3-[[3-[(1R,5S)-3-(4-chloro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 142421701) has the molecular formula C20H16ClN7O2 and a molecular weight of 421.85 g/mol. Its IUPAC name is 3-[[3-[(1R,5S)-3-(4-chloro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[3-[(1R,5S)-3-(4-chloro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
PubChem CID142421701
Molecular FormulaC20H16ClN7O2
Molecular Weight421.85 g/mol
Exact Mass421.11
IUPAC Name3-[[3-[(1R,5S)-3-(4-chloro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1c2cccnc2ncn1Cc1nc(C2[C@H]3CN(c4cc(Cl)ccn4)C[C@@H]23)no1
InChIInChI=1S/C20H16ClN7O2/c21-11-3-5-22-15(6-11)27-7-13-14(8-27)17(13)19-25-16(30-26-19)9-28-10-24-18-12(20(28)29)2-1-4-23-18/h1-6,10,13-14,17H,7-9H2/t13-,14+,17?
InChIKeyXATNITDFSRCWBI-VMZNBEPHSA-N
XLogP2.12
TPSA102.83 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.85
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[[3-[(1R,5S)-3-(4-chloro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-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 3-[[3-[(1R,5S)-3-(4-chloro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[[3-[(1R,5S)-3-(4-chloro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one (CID 142421701) is 3-[[3-[(1R,5S)-3-(4-chloro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[3-[(1R,5S)-3-(4-chloro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[[3-[(1R,5S)-3-(4-chloro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one is O=c1c2cccnc2ncn1Cc1nc(C2[C@H]3CN(c4cc(Cl)ccn4)C[C@@H]23)no1.
What is the InChIKey of 3-[[3-[(1R,5S)-3-(4-chloro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is XATNITDFSRCWBI-VMZNBEPHSA-N. The full InChI is InChI=1S/C20H16ClN7O2/c21-11-3-5-22-15(6-11)27-7-13-14(8-27)17(13)19-25-16(30-26-19)9-28-10-24-18-12(20(28)29)2-1-4-23-18/h1-6,10,13-14,17H,7-9H2/t13-,14+,17?.
What are the key properties of 3-[[3-[(1R,5S)-3-(4-chloro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
3-[[3-[(1R,5S)-3-(4-chloro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 421.85 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(1R,5S)-3-(4-chloro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 142421701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).