5-chloro-2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;bis(4-(1,5-ditert-butylpyrrolidin-3-yl)oxypyrimidine);4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline

C86H138ClN13O5 — CID 158276557

IUPAC5-chloro-2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;bis(4-(1,5-ditert-butylpyrrolidin-3-yl)oxypyrimidine);4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline
SMILESCC(C)(C)C1CC(Oc2ccc(Cl)cn2)CN1C(C)(C)C.CC(C)(C)C1CC(Oc2ccccn2)CN1C(C)(C)C.CC(C)(C)C1CC(Oc2ccncn2)CN1C(C)(C)C.CC(C)(C)C1CC(Oc2ccncn2)CN1C(C)(C)C.CC(C)(C)C1CC(Oc2ncnc3ccccc23)CN1C(C)(C)C
InChIInChI=1S/C20H29N3O.C17H27ClN2O.C17H28N2O.2C16H27N3O/c1-19(2,3)17-11-14(12-23(17)20(4,5)6)24-18-15-9-7-8-10-16(15)21-13-22-18;1-16(2,3)14-9-13(11-20(14)17(4,5)6)21-15-8-7-12(18)10-19-15;1-16(2,3)14-11-13(12-19(14)17(4,5)6)20-15-9-7-8-10-18-15;2*1-15(2,3)13-9-12(10-19(13)16(4,5)6)20-14-7-8-17-11-18-14/h7-10,13-14,17H,11-12H2,1-6H3;7-8,10,13-14H,9,11H2,1-6H3;7-10,13-14H,11-12H2,1-6H3;2*7-8,11-13H,9-10H2,1-6H3
InChIKeyGJRGRQJFATXSJX-UHFFFAOYSA-N
MW1469.59 g/mol
LogP18.73
Rot. Bonds10

About 5-chloro-2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;bis(4-(1,5-ditert-butylpyrrolidin-3-yl)oxypyrimidine);4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline

5-chloro-2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;bis(4-(1,5-ditert-butylpyrrolidin-3-yl)oxypyrimidine);4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline (PubChem CID 158276557) has the molecular formula C86H138ClN13O5 and a molecular weight of 1469.59 g/mol. Its IUPAC name is 5-chloro-2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;bis(4-(1,5-ditert-butylpyrrolidin-3-yl)oxypyrimidine);4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline.

Molecular Properties

Compound Name5-chloro-2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;bis(4-(1,5-ditert-butylpyrrolidin-3-yl)oxypyrimidine);4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline
PubChem CID158276557
Molecular FormulaC86H138ClN13O5
Molecular Weight1469.59 g/mol
Exact Mass1468.06
IUPAC Name5-chloro-2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;bis(4-(1,5-ditert-butylpyrrolidin-3-yl)oxypyrimidine);4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline
SMILESCC(C)(C)C1CC(Oc2ccc(Cl)cn2)CN1C(C)(C)C.CC(C)(C)C1CC(Oc2ccccn2)CN1C(C)(C)C.CC(C)(C)C1CC(Oc2ccncn2)CN1C(C)(C)C.CC(C)(C)C1CC(Oc2ccncn2)CN1C(C)(C)C.CC(C)(C)C1CC(Oc2ncnc3ccccc23)CN1C(C)(C)C
InChIInChI=1S/C20H29N3O.C17H27ClN2O.C17H28N2O.2C16H27N3O/c1-19(2,3)17-11-14(12-23(17)20(4,5)6)24-18-15-9-7-8-10-16(15)21-13-22-18;1-16(2,3)14-9-13(11-20(14)17(4,5)6)21-15-8-7-12(18)10-19-15;1-16(2,3)14-11-13(12-19(14)17(4,5)6)20-15-9-7-8-10-18-15;2*1-15(2,3)13-9-12(10-19(13)16(4,5)6)20-14-7-8-17-11-18-14/h7-10,13-14,17H,11-12H2,1-6H3;7-8,10,13-14H,9,11H2,1-6H3;7-10,13-14H,11-12H2,1-6H3;2*7-8,11-13H,9-10H2,1-6H3
InChIKeyGJRGRQJFATXSJX-UHFFFAOYSA-N
XLogP18.73
TPSA165.47 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001469.59
LogP ≤ 518.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 5-chloro-2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;bis(4-(1,5-ditert-butylpyrrolidin-3-yl)oxypyrimidine);4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline with MolForge

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Related Compounds

7-Chloro-4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2,8-bis(trifluoromethyl)quinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-6,7-dimethyl-2-piperidin-1-ylquinazoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-7-methylquinolin-2-amine;bis(4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-7-methylquinoline);4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-pyrrol-1-ylquinazoline
CID 160773205
4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-6,7-dimethyl-2-piperidin-1-ylquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-phenylquinazoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-pyrrol-1-ylquinoline;4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-2-(3H-pyrrol-5-yl)quinoline
CID 157469878
N-butyl-4-[5-[(2-chloroquinolin-4-yl)oxymethyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;N-butyl-4-[5-[(4-chloroquinolin-2-yl)oxymethyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine;4-[5-[(4-chloroquinolin-2-yl)oxymethyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;4-[5-[(4-chloroquinolin-2-yl)oxymethyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine
CID 157610196
3-chloro-5-[2-[(3S)-3-fluoro-3-methylpyrrolidin-1-yl]-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyridin-2-amine;bis(3-(difluoromethoxy)-5-[2-(3-fluoro-4-methylpyrrolidin-1-yl)-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyridin-2-amine);3-fluoro-5-[2-(3-fluoro-3-methylpyrrolidin-1-yl)-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]pyridin-2-amine
CID 157867516
2,7-Bis[(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(2,4-dimethyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(2-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(4-methyl-3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-phenyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;decakis(palladium(2+))
CID 157929645
3-(2-chloro-4-pyridinyl)-4-methoxy-1-methylpyrazolo[4,3-c]pyridine;(1S,4S)-5-[4-(4-methoxy-1-methylpyrazolo[4,3-c]pyridin-3-yl)-2-pyridinyl]-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-5-[4-(4-methoxy-1H-pyrrolo[3,4-c]pyridin-3-yl)-2-pyridinyl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 158027819
2-[3-[(3-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5-tert-butylpyrimidin-2-yl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5-tert-butylpyrimidin-2-yl)-1H-carbazol-1-ide;2-[3-[(5-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5-tert-butylpyrimidin-2-yl)-1H-carbazol-1-ide;2-[3-[(4-tert-butyl-2-pyridinyl)oxy]-5-methylbenzene-2-id-1-yl]-9-(5-tert-butylpyrimidin-2-yl)-1H-carbazol-1-ide;2-[3-[(3-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyrimidin-2-yl-1H-carbazol-1-ide;pentakis(platinum(2+))
CID 158150725
2-[3-[(3-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5-methylpyrimidin-2-yl)-1H-carbazol-1-ide;2-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyrimidin-2-yl-1H-carbazol-1-ide;2-[3-[(5-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyrimidin-2-yl-1H-carbazol-1-ide;bis(9-(4-methylpyrimidin-2-yl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-carbazol-1-ide);pentakis(platinum(2+))
CID 158253469
3-(1,5-Ditert-butylpyrrolidin-3-yl)oxypyridazine;2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;4-(1,5-ditert-butylpyrrolidin-3-yl)oxypyrimidine;4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline;methane
CID 158345225
1-[1-Tert-butyl-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidin-2-yl]-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-methylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-1-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-naphthalen-2-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-phenoxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-5-phenylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one;1-(1-tert-butyl-4-quinazolin-4-yloxypyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 158604428
2-[3-[(4-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5-tert-butylpyrimidin-2-yl)-1H-carbazol-1-ide;2-[3-[(5-tert-butyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-(5-tert-butylpyrimidin-2-yl)-1H-carbazol-1-ide;2-[3-[(3-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyrimidin-2-yl-1H-carbazol-1-ide;2-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyrimidin-2-yl-1H-carbazol-1-ide;2-[3-[(5-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-9-pyrimidin-2-yl-1H-carbazol-1-ide;pentakis(platinum(2+))
CID 158801684
1-[4-[(5-Chloro-2-pyridinyl)oxy]-1-methylpyrrolidin-2-yl]ethanone;1-(5-cyclohexyl-1-methylpyrrolidin-2-yl)ethanone;1-(1,5-dimethylpyrrolidin-2-yl)ethanone;1-(3-ethyl-1,4-dimethylpyrrolidin-2-yl)ethanone;1-(4-ethyl-1,3-dimethylpyrrolidin-2-yl)ethanone;1-(1-methyl-5-phenylpyrrolidin-2-yl)ethanone;1-(1-methyl-4-quinazolin-4-yloxypyrrolidin-2-yl)ethanone;1-(1,3,4-trimethylpyrrolidin-2-yl)ethanone
CID 158813004

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;bis(4-(1,5-ditert-butylpyrrolidin-3-yl)oxypyrimidine);4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline?
The IUPAC name of 5-chloro-2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;bis(4-(1,5-ditert-butylpyrrolidin-3-yl)oxypyrimidine);4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline (CID 158276557) is 5-chloro-2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;bis(4-(1,5-ditert-butylpyrrolidin-3-yl)oxypyrimidine);4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline.
What is the SMILES notation for 5-chloro-2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;bis(4-(1,5-ditert-butylpyrrolidin-3-yl)oxypyrimidine);4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline?
The canonical SMILES for 5-chloro-2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;bis(4-(1,5-ditert-butylpyrrolidin-3-yl)oxypyrimidine);4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline is CC(C)(C)C1CC(Oc2ccc(Cl)cn2)CN1C(C)(C)C.CC(C)(C)C1CC(Oc2ccccn2)CN1C(C)(C)C.CC(C)(C)C1CC(Oc2ccncn2)CN1C(C)(C)C.CC(C)(C)C1CC(Oc2ccncn2)CN1C(C)(C)C.CC(C)(C)C1CC(Oc2ncnc3ccccc23)CN1C(C)(C)C.
What is the InChIKey of 5-chloro-2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;bis(4-(1,5-ditert-butylpyrrolidin-3-yl)oxypyrimidine);4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline?
The InChIKey is GJRGRQJFATXSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O.C17H27ClN2O.C17H28N2O.2C16H27N3O/c1-19(2,3)17-11-14(12-23(17)20(4,5)6)24-18-15-9-7-8-10-16(15)21-13-22-18;1-16(2,3)14-9-13(11-20(14)17(4,5)6)21-15-8-7-12(18)10-19-15;1-16(2,3)14-11-13(12-19(14)17(4,5)6)20-15-9-7-8-10-18-15;2*1-15(2,3)13-9-12(10-19(13)16(4,5)6)20-14-7-8-17-11-18-14/h7-10,13-14,17H,11-12H2,1-6H3;7-8,10,13-14H,9,11H2,1-6H3;7-10,13-14H,11-12H2,1-6H3;2*7-8,11-13H,9-10H2,1-6H3.
What are the key properties of 5-chloro-2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;bis(4-(1,5-ditert-butylpyrrolidin-3-yl)oxypyrimidine);4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline?
5-chloro-2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;bis(4-(1,5-ditert-butylpyrrolidin-3-yl)oxypyrimidine);4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline has a molecular weight of 1469.59 g/mol, XLogP of 18.73, 10 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;2-(1,5-ditert-butylpyrrolidin-3-yl)oxypyridine;bis(4-(1,5-ditert-butylpyrrolidin-3-yl)oxypyrimidine);4-(1,5-ditert-butylpyrrolidin-3-yl)oxyquinazoline is sourced from PubChem (CID 158276557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).