4-(1H-imidazol-5-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole;3-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,2-oxazole;5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,2-oxazole;5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-thiazole

C78H91N19O4S — CID 159752942

IUPAC4-(1H-imidazol-5-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole;3-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,2-oxazole;5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,2-oxazole;5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-thiazole
SMILESCN1CCC[C@H]1c1cnccc1-c1ccno1.CN1CCC[C@H]1c1cnccc1-c1ccon1.CN1CCC[C@H]1c1cnccc1-c1cnc[nH]1.CN1CCC[C@H]1c1cnccc1-c1cnco1.CN1CCC[C@H]1c1cnccc1-c1ncco1.CN1CCC[C@H]1c1cnccc1-c1nccs1
InChIInChI=1S/C13H16N4.4C13H15N3O.C13H15N3S/c1-17-6-2-3-13(17)11-7-14-5-4-10(11)12-8-15-9-16-12;1-16-8-2-3-12(16)11-9-14-6-4-10(11)13-5-7-15-17-13;1-16-7-2-3-13(16)11-9-14-6-4-10(11)12-5-8-17-15-12;1-16-7-2-3-12(16)11-9-14-5-4-10(11)13-15-6-8-17-13;1-16-6-2-3-12(16)11-7-14-5-4-10(11)13-8-15-9-17-13;1-16-7-2-3-12(16)11-9-14-5-4-10(11)13-15-6-8-17-13/h4-5,7-9,13H,2-3,6H2,1H3,(H,15,16);4-7,9,12H,2-3,8H2,1H3;4-6,8-9,13H,2-3,7H2,1H3;4-6,8-9,12H,2-3,7H2,1H3;4-5,7-9,12H,2-3,6H2,1H3;4-6,8-9,12H,2-3,7H2,1H3/t13-;12-;13-;3*12-/m000000/s1
InChIKeyNDWPIXDHLFOLRV-IPSCGLLESA-N
MW1390.78 g/mol
LogP15.22
Rot. Bonds12

About 4-(1H-imidazol-5-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole;3-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,2-oxazole;5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,2-oxazole;5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-thiazole

4-(1H-imidazol-5-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole;3-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,2-oxazole;5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,2-oxazole;5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-thiazole (PubChem CID 159752942) has the molecular formula C78H91N19O4S and a molecular weight of 1390.78 g/mol. Its IUPAC name is 4-(1H-imidazol-5-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole;3-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,2-oxazole;5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,2-oxazole;5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(1H-imidazol-5-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole;3-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,2-oxazole;5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,2-oxazole;5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-thiazole
PubChem CID159752942
Molecular FormulaC78H91N19O4S
Molecular Weight1390.78 g/mol
Exact Mass1389.72
IUPAC Name4-(1H-imidazol-5-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole;3-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,2-oxazole;5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,2-oxazole;5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-thiazole
SMILESCN1CCC[C@H]1c1cnccc1-c1ccno1.CN1CCC[C@H]1c1cnccc1-c1ccon1.CN1CCC[C@H]1c1cnccc1-c1cnc[nH]1.CN1CCC[C@H]1c1cnccc1-c1cnco1.CN1CCC[C@H]1c1cnccc1-c1ncco1.CN1CCC[C@H]1c1cnccc1-c1nccs1
InChIInChI=1S/C13H16N4.4C13H15N3O.C13H15N3S/c1-17-6-2-3-13(17)11-7-14-5-4-10(11)12-8-15-9-16-12;1-16-8-2-3-12(16)11-9-14-6-4-10(11)13-5-7-15-17-13;1-16-7-2-3-13(16)11-9-14-6-4-10(11)12-5-8-17-15-12;1-16-7-2-3-12(16)11-9-14-5-4-10(11)13-15-6-8-17-13;1-16-6-2-3-12(16)11-7-14-5-4-10(11)13-8-15-9-17-13;1-16-7-2-3-12(16)11-9-14-5-4-10(11)13-15-6-8-17-13/h4-5,7-9,13H,2-3,6H2,1H3,(H,15,16);4-7,9,12H,2-3,8H2,1H3;4-6,8-9,13H,2-3,7H2,1H3;4-6,8-9,12H,2-3,7H2,1H3;4-5,7-9,12H,2-3,6H2,1H3;4-6,8-9,12H,2-3,7H2,1H3/t13-;12-;13-;3*12-/m000000/s1
InChIKeyNDWPIXDHLFOLRV-IPSCGLLESA-N
XLogP15.22
TPSA242.47 Ų
H-Bond Donors1
H-Bond Acceptors23
Rotatable Bonds12
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001390.78
LogP ≤ 515.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1023

Analyze 4-(1H-imidazol-5-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole;3-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,2-oxazole;5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,2-oxazole;5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole;3-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,2-oxazole;5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,2-oxazole;5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-thiazole?
The IUPAC name of 4-(1H-imidazol-5-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole;3-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,2-oxazole;5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,2-oxazole;5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-thiazole (CID 159752942) is 4-(1H-imidazol-5-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole;3-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,2-oxazole;5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,2-oxazole;5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-thiazole.
What is the SMILES notation for 4-(1H-imidazol-5-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole;3-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,2-oxazole;5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,2-oxazole;5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-thiazole?
The canonical SMILES for 4-(1H-imidazol-5-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole;3-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,2-oxazole;5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,2-oxazole;5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-thiazole is CN1CCC[C@H]1c1cnccc1-c1ccno1.CN1CCC[C@H]1c1cnccc1-c1ccon1.CN1CCC[C@H]1c1cnccc1-c1cnc[nH]1.CN1CCC[C@H]1c1cnccc1-c1cnco1.CN1CCC[C@H]1c1cnccc1-c1ncco1.CN1CCC[C@H]1c1cnccc1-c1nccs1.
What is the InChIKey of 4-(1H-imidazol-5-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole;3-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,2-oxazole;5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,2-oxazole;5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-thiazole?
The InChIKey is NDWPIXDHLFOLRV-IPSCGLLESA-N. The full InChI is InChI=1S/C13H16N4.4C13H15N3O.C13H15N3S/c1-17-6-2-3-13(17)11-7-14-5-4-10(11)12-8-15-9-16-12;1-16-8-2-3-12(16)11-9-14-6-4-10(11)13-5-7-15-17-13;1-16-7-2-3-13(16)11-9-14-6-4-10(11)12-5-8-17-15-12;1-16-7-2-3-12(16)11-9-14-5-4-10(11)13-15-6-8-17-13;1-16-6-2-3-12(16)11-7-14-5-4-10(11)13-8-15-9-17-13;1-16-7-2-3-12(16)11-9-14-5-4-10(11)13-15-6-8-17-13/h4-5,7-9,13H,2-3,6H2,1H3,(H,15,16);4-7,9,12H,2-3,8H2,1H3;4-6,8-9,13H,2-3,7H2,1H3;4-6,8-9,12H,2-3,7H2,1H3;4-5,7-9,12H,2-3,6H2,1H3;4-6,8-9,12H,2-3,7H2,1H3/t13-;12-;13-;3*12-/m000000/s1.
What are the key properties of 4-(1H-imidazol-5-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole;3-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,2-oxazole;5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,2-oxazole;5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-thiazole?
4-(1H-imidazol-5-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole;3-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,2-oxazole;5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,2-oxazole;5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-thiazole has a molecular weight of 1390.78 g/mol, XLogP of 15.22, 12 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-yl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole;3-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,2-oxazole;5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,2-oxazole;5-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-oxazole;2-[3-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 159752942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).