[4-(1-butylimidazol-2-yl)piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone

C20H26N6O — CID 72936622

IUPAC[4-(1-butylimidazol-2-yl)piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
SMILESCCCCn1ccnc1C1CCN(C(=O)c2cnc3ccnn3c2C)CC1
InChIInChI=1S/C20H26N6O/c1-3-4-10-24-13-9-21-19(24)16-6-11-25(12-7-16)20(27)17-14-22-18-5-8-23-26(18)15(17)2/h5,8-9,13-14,16H,3-4,6-7,10-12H2,1-2H3
InChIKeyOPFQQSXGRHLLBH-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.05
Rot. Bonds5

About [4-(1-butylimidazol-2-yl)piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone

[4-(1-butylimidazol-2-yl)piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone (PubChem CID 72936622) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is [4-(1-butylimidazol-2-yl)piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name[4-(1-butylimidazol-2-yl)piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
PubChem CID72936622
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name[4-(1-butylimidazol-2-yl)piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
SMILESCCCCn1ccnc1C1CCN(C(=O)c2cnc3ccnn3c2C)CC1
InChIInChI=1S/C20H26N6O/c1-3-4-10-24-13-9-21-19(24)16-6-11-25(12-7-16)20(27)17-14-22-18-5-8-23-26(18)15(17)2/h5,8-9,13-14,16H,3-4,6-7,10-12H2,1-2H3
InChIKeyOPFQQSXGRHLLBH-UHFFFAOYSA-N
XLogP3.05
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 72882305
5-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione
CID 72912139
1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 70781021
2-(azepan-1-yl)-1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]ethanone
CID 72854261
1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 72854193
(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56745742
(2S)-1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
CID 97143967
[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 72896443
3-[2-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 72859867
[3-(1-butylimidazol-2-yl)piperidin-1-yl]-quinolin-4-ylmethanone
CID 72843426
2-[(3S)-3-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 97285199
[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 126445868

Frequently Asked Questions

What is the IUPAC name of [4-(1-butylimidazol-2-yl)piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The IUPAC name of [4-(1-butylimidazol-2-yl)piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone (CID 72936622) is [4-(1-butylimidazol-2-yl)piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone.
What is the SMILES notation for [4-(1-butylimidazol-2-yl)piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The canonical SMILES for [4-(1-butylimidazol-2-yl)piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone is CCCCn1ccnc1C1CCN(C(=O)c2cnc3ccnn3c2C)CC1.
What is the InChIKey of [4-(1-butylimidazol-2-yl)piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The InChIKey is OPFQQSXGRHLLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-3-4-10-24-13-9-21-19(24)16-6-11-25(12-7-16)20(27)17-14-22-18-5-8-23-26(18)15(17)2/h5,8-9,13-14,16H,3-4,6-7,10-12H2,1-2H3.
What are the key properties of [4-(1-butylimidazol-2-yl)piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
[4-(1-butylimidazol-2-yl)piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone has a molecular weight of 366.47 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-butylimidazol-2-yl)piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone is sourced from PubChem (CID 72936622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).