1-[4-(2-hydroxypropan-2-yl)phenyl]-2-[7-[4-(methoxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone

C24H30N4O3 — CID 58207030

IUPAC1-[4-(2-hydroxypropan-2-yl)phenyl]-2-[7-[4-(methoxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone
SMILESCOCC1CCN(c2cc(CC(=O)c3ccc(C(C)(C)O)cc3)nc3ccnn23)CC1
InChIInChI=1S/C24H30N4O3/c1-24(2,30)19-6-4-18(5-7-19)21(29)14-20-15-23(28-22(26-20)8-11-25-28)27-12-9-17(10-13-27)16-31-3/h4-8,11,15,17,30H,9-10,12-14,16H2,1-3H3
InChIKeyZBDGSWKDJWWKRM-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.24
Rot. Bonds7

About 1-[4-(2-hydroxypropan-2-yl)phenyl]-2-[7-[4-(methoxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone

1-[4-(2-hydroxypropan-2-yl)phenyl]-2-[7-[4-(methoxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone (PubChem CID 58207030) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 1-[4-(2-hydroxypropan-2-yl)phenyl]-2-[7-[4-(methoxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-hydroxypropan-2-yl)phenyl]-2-[7-[4-(methoxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone
PubChem CID58207030
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name1-[4-(2-hydroxypropan-2-yl)phenyl]-2-[7-[4-(methoxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone
SMILESCOCC1CCN(c2cc(CC(=O)c3ccc(C(C)(C)O)cc3)nc3ccnn23)CC1
InChIInChI=1S/C24H30N4O3/c1-24(2,30)19-6-4-18(5-7-19)21(29)14-20-15-23(28-22(26-20)8-11-25-28)27-12-9-17(10-13-27)16-31-3/h4-8,11,15,17,30H,9-10,12-14,16H2,1-3H3
InChIKeyZBDGSWKDJWWKRM-UHFFFAOYSA-N
XLogP3.24
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[7-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone
CID 58207103
4-[5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxoethyl]pyrazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepane-1-carbaldehyde
CID 58206908
2-[7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone
CID 58207084
methyl 4-[2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetyl]benzoate
CID 58207276
N-[1-[5-[2-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxoethyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]cyclopropanecarboxamide
CID 58207056
1-(4-tert-butylphenyl)-2-[7-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]ethanone
CID 58207087
2-[7-(2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone
CID 58207168
1-(4-tert-butylphenyl)-2-[7-(1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethanone
CID 58207043
4-(2-hydroxypropan-2-yl)-N-(7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)benzamide
CID 143873056
1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone
CID 58206932
N-[7-[3-(dimethylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-(2-hydroxypropan-2-yl)benzamide
CID 67064055
2-(7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone;2-cyclohexylpropan-2-ol;deuterio(fluoro)methane;1-[4-(2-hydroxypropan-2-yl)phenyl]-2-[7-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]ethanone
CID 159141857

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxypropan-2-yl)phenyl]-2-[7-[4-(methoxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone?
The IUPAC name of 1-[4-(2-hydroxypropan-2-yl)phenyl]-2-[7-[4-(methoxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone (CID 58207030) is 1-[4-(2-hydroxypropan-2-yl)phenyl]-2-[7-[4-(methoxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[4-(2-hydroxypropan-2-yl)phenyl]-2-[7-[4-(methoxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[4-(2-hydroxypropan-2-yl)phenyl]-2-[7-[4-(methoxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone is COCC1CCN(c2cc(CC(=O)c3ccc(C(C)(C)O)cc3)nc3ccnn23)CC1.
What is the InChIKey of 1-[4-(2-hydroxypropan-2-yl)phenyl]-2-[7-[4-(methoxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone?
The InChIKey is ZBDGSWKDJWWKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-24(2,30)19-6-4-18(5-7-19)21(29)14-20-15-23(28-22(26-20)8-11-25-28)27-12-9-17(10-13-27)16-31-3/h4-8,11,15,17,30H,9-10,12-14,16H2,1-3H3.
What are the key properties of 1-[4-(2-hydroxypropan-2-yl)phenyl]-2-[7-[4-(methoxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone?
1-[4-(2-hydroxypropan-2-yl)phenyl]-2-[7-[4-(methoxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone has a molecular weight of 422.53 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxypropan-2-yl)phenyl]-2-[7-[4-(methoxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-5-yl]ethanone is sourced from PubChem (CID 58207030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).