[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone

C17H18N4O2 — CID 95340989

IUPAC[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
SMILESCc1ccc2oc(C(=O)N3CCC[C@H](n4ccnc4)C3)cc2n1
InChIInChI=1S/C17H18N4O2/c1-12-4-5-15-14(19-12)9-16(23-15)17(22)20-7-2-3-13(10-20)21-8-6-18-11-21/h4-6,8-9,11,13H,2-3,7,10H2,1H3/t13-/m0/s1
InChIKeyNRWPIHYEEAKONG-ZDUSSCGKSA-N
MW310.36 g/mol
LogP2.81
Rot. Bonds2

About [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone

[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone (PubChem CID 95340989) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
PubChem CID95340989
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
SMILESCc1ccc2oc(C(=O)N3CCC[C@H](n4ccnc4)C3)cc2n1
InChIInChI=1S/C17H18N4O2/c1-12-4-5-15-14(19-12)9-16(23-15)17(22)20-7-2-3-13(10-20)21-8-6-18-11-21/h4-6,8-9,11,13H,2-3,7,10H2,1H3/t13-/m0/s1
InChIKeyNRWPIHYEEAKONG-ZDUSSCGKSA-N
XLogP2.81
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone with MolForge

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Related Compounds

[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
CID 56779807
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 95345476
(2,6-dimethylquinolin-3-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95325581
[4-(methylamino)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
CID 119564041
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95312812
3-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]benzamide
CID 95569094
[2-(aminomethyl)pyrrolidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
CID 119634678
5-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]thiophene-2-carboxamide
CID 95319281
2,3-dihydro-1,4-benzodioxin-6-yl-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95312405
5-methyl-2-[4-(sulfamoylamino)piperidine-1-carbonyl]furo[3,2-b]pyridine
CID 167911199
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 95323916
[2-(aminomethyl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone;dihydrochloride
CID 119469805

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone?
The IUPAC name of [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone (CID 95340989) is [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone.
What is the SMILES notation for [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone?
The canonical SMILES for [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone is Cc1ccc2oc(C(=O)N3CCC[C@H](n4ccnc4)C3)cc2n1.
What is the InChIKey of [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone?
The InChIKey is NRWPIHYEEAKONG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12-4-5-15-14(19-12)9-16(23-15)17(22)20-7-2-3-13(10-20)21-8-6-18-11-21/h4-6,8-9,11,13H,2-3,7,10H2,1H3/t13-/m0/s1.
What are the key properties of [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone?
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone has a molecular weight of 310.36 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone is sourced from PubChem (CID 95340989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).