[(2S)-2-[(7,8-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]methanone

C26H29N5O2 — CID 46701737

IUPAC[(2S)-2-[(7,8-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]methanone
SMILESCc1cc(-c2ccc(C)nc2C(=O)N2CCCC[C@H]2Cc2cn3ccc(C)c(C)c3n2)on1
InChIInChI=1S/C26H29N5O2/c1-16-10-12-30-15-20(28-25(30)19(16)4)14-21-7-5-6-11-31(21)26(32)24-22(9-8-17(2)27-24)23-13-18(3)29-33-23/h8-10,12-13,15,21H,5-7,11,14H2,1-4H3/t21-/m0/s1
InChIKeyHOYHHDFDTAPQNB-NRFANRHFSA-N
MW443.55 g/mol
LogP4.86
Rot. Bonds4

About [(2S)-2-[(7,8-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]methanone

[(2S)-2-[(7,8-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]methanone (PubChem CID 46701737) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is [(2S)-2-[(7,8-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[(2S)-2-[(7,8-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]methanone
PubChem CID46701737
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name[(2S)-2-[(7,8-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]methanone
SMILESCc1cc(-c2ccc(C)nc2C(=O)N2CCCC[C@H]2Cc2cn3ccc(C)c(C)c3n2)on1
InChIInChI=1S/C26H29N5O2/c1-16-10-12-30-15-20(28-25(30)19(16)4)14-21-7-5-6-11-31(21)26(32)24-22(9-8-17(2)27-24)23-13-18(3)29-33-23/h8-10,12-13,15,21H,5-7,11,14H2,1-4H3/t21-/m0/s1
InChIKeyHOYHHDFDTAPQNB-NRFANRHFSA-N
XLogP4.86
TPSA76.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2S)-2-[(7,8-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(7,8-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]methanone?
The IUPAC name of [(2S)-2-[(7,8-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]methanone (CID 46701737) is [(2S)-2-[(7,8-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]methanone.
What is the SMILES notation for [(2S)-2-[(7,8-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]methanone?
The canonical SMILES for [(2S)-2-[(7,8-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]methanone is Cc1cc(-c2ccc(C)nc2C(=O)N2CCCC[C@H]2Cc2cn3ccc(C)c(C)c3n2)on1.
What is the InChIKey of [(2S)-2-[(7,8-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]methanone?
The InChIKey is HOYHHDFDTAPQNB-NRFANRHFSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-16-10-12-30-15-20(28-25(30)19(16)4)14-21-7-5-6-11-31(21)26(32)24-22(9-8-17(2)27-24)23-13-18(3)29-33-23/h8-10,12-13,15,21H,5-7,11,14H2,1-4H3/t21-/m0/s1.
What are the key properties of [(2S)-2-[(7,8-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]methanone?
[(2S)-2-[(7,8-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]methanone has a molecular weight of 443.55 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(7,8-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-[6-methyl-3-(3-methyl-1,2-oxazol-5-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 46701737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).