3-[[3-[(1R,5R,6S)-3-(4-chloro-2-pyridinyl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one

C20H14ClN7O2 — CID 142422281

IUPAC3-[[3-[(1R,5R,6S)-3-(4-chloro-2-pyridinyl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1c2cccnc2ncn1Cc1nc([C@@]23C4[C@H]2[C@H]3CN4c2cc(Cl)ccn2)no1
InChIInChI=1S/C20H14ClN7O2/c21-10-3-5-22-13(6-10)28-7-12-15-16(28)20(12,15)19-25-14(30-26-19)8-27-9-24-17-11(18(27)29)2-1-4-23-17/h1-6,9,12,15-16H,7-8H2/t12-,15-,16?,20-/m1/s1
InChIKeyZMPBNMISTRTVHW-UGAUKKIBSA-N
MW419.83 g/mol
LogP1.66
Rot. Bonds4

About 3-[[3-[(1R,5R,6S)-3-(4-chloro-2-pyridinyl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one

3-[[3-[(1R,5R,6S)-3-(4-chloro-2-pyridinyl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 142422281) has the molecular formula C20H14ClN7O2 and a molecular weight of 419.83 g/mol. Its IUPAC name is 3-[[3-[(1R,5R,6S)-3-(4-chloro-2-pyridinyl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[3-[(1R,5R,6S)-3-(4-chloro-2-pyridinyl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
PubChem CID142422281
Molecular FormulaC20H14ClN7O2
Molecular Weight419.83 g/mol
Exact Mass419.09
IUPAC Name3-[[3-[(1R,5R,6S)-3-(4-chloro-2-pyridinyl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1c2cccnc2ncn1Cc1nc([C@@]23C4[C@H]2[C@H]3CN4c2cc(Cl)ccn2)no1
InChIInChI=1S/C20H14ClN7O2/c21-10-3-5-22-13(6-10)28-7-12-15-16(28)20(12,15)19-25-14(30-26-19)8-27-9-24-17-11(18(27)29)2-1-4-23-17/h1-6,9,12,15-16H,7-8H2/t12-,15-,16?,20-/m1/s1
InChIKeyZMPBNMISTRTVHW-UGAUKKIBSA-N
XLogP1.66
TPSA102.83 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.83
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[[3-[(1R,5R,6S)-3-(4-chloro-2-pyridinyl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

5-(chloromethyl)-3-[(1R,5S)-3-(4-chloro-2-pyridinyl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]-1,2,4-oxadiazole
CID 142421535
3-[[3-[3-(3-chlorophenyl)-3-fluorocyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 142422120
1-[[3-[(1R,5R,6S)-3-[3-(difluoromethyl)phenyl]-3-azatricyclo[3.1.0.02,6]hexan-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one
CID 142422838
3-[[3-[3-(4-chlorophenyl)-3-fluorocyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 142421897
1-[[3-[(1R,5R,6S)-3-[3-(difluoromethoxy)phenyl]-3-azatricyclo[3.1.0.02,6]hexan-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one
CID 154985016
3-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 56801915
3-[[5-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 127032772
6-[[3-[(1R,5S)-3-(4-chloro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one
CID 142422720
3-[(5-chloro-2-pyridinyl)methyl]pyrido[2,3-d]pyrimidin-4-one
CID 154754059
3-[[3-[3-(3-chlorophenyl)-3-fluorocyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one
CID 142421731
6-[[3-[(1S,5R)-3-(3-chlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one
CID 142422191
N-(3-chlorophenyl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18165532

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(1R,5R,6S)-3-(4-chloro-2-pyridinyl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[[3-[(1R,5R,6S)-3-(4-chloro-2-pyridinyl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one (CID 142422281) is 3-[[3-[(1R,5R,6S)-3-(4-chloro-2-pyridinyl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[3-[(1R,5R,6S)-3-(4-chloro-2-pyridinyl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[[3-[(1R,5R,6S)-3-(4-chloro-2-pyridinyl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one is O=c1c2cccnc2ncn1Cc1nc([C@@]23C4[C@H]2[C@H]3CN4c2cc(Cl)ccn2)no1.
What is the InChIKey of 3-[[3-[(1R,5R,6S)-3-(4-chloro-2-pyridinyl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is ZMPBNMISTRTVHW-UGAUKKIBSA-N. The full InChI is InChI=1S/C20H14ClN7O2/c21-10-3-5-22-13(6-10)28-7-12-15-16(28)20(12,15)19-25-14(30-26-19)8-27-9-24-17-11(18(27)29)2-1-4-23-17/h1-6,9,12,15-16H,7-8H2/t12-,15-,16?,20-/m1/s1.
What are the key properties of 3-[[3-[(1R,5R,6S)-3-(4-chloro-2-pyridinyl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
3-[[3-[(1R,5R,6S)-3-(4-chloro-2-pyridinyl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 419.83 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(1R,5R,6S)-3-(4-chloro-2-pyridinyl)-3-azatricyclo[3.1.0.02,6]hexan-1-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 142422281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).