4-imidazol-1-yl-1-[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]butan-1-one

C18H22N6O — CID 124980416

IUPAC4-imidazol-1-yl-1-[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]butan-1-one
SMILESO=C(CCCn1ccnc1)N1CCC[C@H](c2ccc3cn[nH]c3n2)C1
InChIInChI=1S/C18H22N6O/c25-17(4-2-8-23-10-7-19-13-23)24-9-1-3-15(12-24)16-6-5-14-11-20-22-18(14)21-16/h5-7,10-11,13,15H,1-4,8-9,12H2,(H,20,21,22)/t15-/m0/s1
InChIKeyMIRSXSGSMIWDSJ-HNNXBMFYSA-N
MW338.41 g/mol
LogP2.34
Rot. Bonds5

About 4-imidazol-1-yl-1-[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]butan-1-one

4-imidazol-1-yl-1-[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]butan-1-one (PubChem CID 124980416) has the molecular formula C18H22N6O and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-imidazol-1-yl-1-[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-imidazol-1-yl-1-[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]butan-1-one
PubChem CID124980416
Molecular FormulaC18H22N6O
Molecular Weight338.41 g/mol
Exact Mass338.19
IUPAC Name4-imidazol-1-yl-1-[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]butan-1-one
SMILESO=C(CCCn1ccnc1)N1CCC[C@H](c2ccc3cn[nH]c3n2)C1
InChIInChI=1S/C18H22N6O/c25-17(4-2-8-23-10-7-19-13-23)24-9-1-3-15(12-24)16-6-5-14-11-20-22-18(14)21-16/h5-7,10-11,13,15H,1-4,8-9,12H2,(H,20,21,22)/t15-/m0/s1
InChIKeyMIRSXSGSMIWDSJ-HNNXBMFYSA-N
XLogP2.34
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-imidazol-1-yl-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 124966328
4-imidazol-1-yl-1-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]butan-1-one
CID 110106597
2-[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124941129
1-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110118699
3-(2-fluorophenyl)-1-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]propan-1-one
CID 110118717
3-[(3S)-1-(4-imidazol-1-ylbutanoyl)piperidin-3-yl]benzoic acid
CID 97196298
(1-methylpyrrol-2-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone
CID 110118701
2-(4-methoxyphenyl)-1-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]ethanone
CID 110118665
[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone
CID 124963907
1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 70707433
(4,4-difluorocyclohexyl)-[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone
CID 124981162
2-imidazol-1-yl-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 124983601

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-1-[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of 4-imidazol-1-yl-1-[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]butan-1-one (CID 124980416) is 4-imidazol-1-yl-1-[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4-imidazol-1-yl-1-[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 4-imidazol-1-yl-1-[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]butan-1-one is O=C(CCCn1ccnc1)N1CCC[C@H](c2ccc3cn[nH]c3n2)C1.
What is the InChIKey of 4-imidazol-1-yl-1-[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]butan-1-one?
The InChIKey is MIRSXSGSMIWDSJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N6O/c25-17(4-2-8-23-10-7-19-13-23)24-9-1-3-15(12-24)16-6-5-14-11-20-22-18(14)21-16/h5-7,10-11,13,15H,1-4,8-9,12H2,(H,20,21,22)/t15-/m0/s1.
What are the key properties of 4-imidazol-1-yl-1-[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]butan-1-one?
4-imidazol-1-yl-1-[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]butan-1-one has a molecular weight of 338.41 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-1-[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 124980416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).