2-[2-[(2R,6S)-2-imidazo[1,2-a]pyridin-2-yl-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]-1,3-oxazole

C23H25N5O — CID 145424614

IUPAC2-[2-[(2R,6S)-2-imidazo[1,2-a]pyridin-2-yl-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]-1,3-oxazole
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2cn3ccccc3n2)N1CCc1ncco1
InChIInChI=1S/C23H25N5O/c1-17-6-5-11-25-23(17)20-8-4-7-19(28(20)14-10-22-24-12-15-29-22)18-16-27-13-3-2-9-21(27)26-18/h2-3,5-6,9,11-13,15-16,19-20H,4,7-8,10,14H2,1H3/t19-,20+/m1/s1
InChIKeyBSZQTFOIHCNJRK-UXHICEINSA-N
MW387.49 g/mol
LogP4.54
Rot. Bonds5

About 2-[2-[(2R,6S)-2-imidazo[1,2-a]pyridin-2-yl-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]-1,3-oxazole

2-[2-[(2R,6S)-2-imidazo[1,2-a]pyridin-2-yl-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]-1,3-oxazole (PubChem CID 145424614) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 2-[2-[(2R,6S)-2-imidazo[1,2-a]pyridin-2-yl-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[2-[(2R,6S)-2-imidazo[1,2-a]pyridin-2-yl-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]-1,3-oxazole
PubChem CID145424614
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name2-[2-[(2R,6S)-2-imidazo[1,2-a]pyridin-2-yl-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]-1,3-oxazole
SMILESCc1cccnc1[C@@H]1CCC[C@H](c2cn3ccccc3n2)N1CCc1ncco1
InChIInChI=1S/C23H25N5O/c1-17-6-5-11-25-23(17)20-8-4-7-19(28(20)14-10-22-24-12-15-29-22)18-16-27-13-3-2-9-21(27)26-18/h2-3,5-6,9,11-13,15-16,19-20H,4,7-8,10,14H2,1H3/t19-,20+/m1/s1
InChIKeyBSZQTFOIHCNJRK-UXHICEINSA-N
XLogP4.54
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R,6S)-2-imidazo[1,2-a]pyridin-2-yl-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]-1,3-oxazole?
The IUPAC name of 2-[2-[(2R,6S)-2-imidazo[1,2-a]pyridin-2-yl-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]-1,3-oxazole (CID 145424614) is 2-[2-[(2R,6S)-2-imidazo[1,2-a]pyridin-2-yl-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]-1,3-oxazole.
What is the SMILES notation for 2-[2-[(2R,6S)-2-imidazo[1,2-a]pyridin-2-yl-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]-1,3-oxazole?
The canonical SMILES for 2-[2-[(2R,6S)-2-imidazo[1,2-a]pyridin-2-yl-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]-1,3-oxazole is Cc1cccnc1[C@@H]1CCC[C@H](c2cn3ccccc3n2)N1CCc1ncco1.
What is the InChIKey of 2-[2-[(2R,6S)-2-imidazo[1,2-a]pyridin-2-yl-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]-1,3-oxazole?
The InChIKey is BSZQTFOIHCNJRK-UXHICEINSA-N. The full InChI is InChI=1S/C23H25N5O/c1-17-6-5-11-25-23(17)20-8-4-7-19(28(20)14-10-22-24-12-15-29-22)18-16-27-13-3-2-9-21(27)26-18/h2-3,5-6,9,11-13,15-16,19-20H,4,7-8,10,14H2,1H3/t19-,20+/m1/s1.
What are the key properties of 2-[2-[(2R,6S)-2-imidazo[1,2-a]pyridin-2-yl-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]-1,3-oxazole?
2-[2-[(2R,6S)-2-imidazo[1,2-a]pyridin-2-yl-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]-1,3-oxazole has a molecular weight of 387.49 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R,6S)-2-imidazo[1,2-a]pyridin-2-yl-6-(3-methyl-2-pyridinyl)piperidin-1-yl]ethyl]-1,3-oxazole is sourced from PubChem (CID 145424614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).