1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol

C25H29N5O3 — CID 26326655

IUPAC1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol
SMILESCOc1cccc(-c2cc(CC3(O)CCN(Cc4cnn5c(C)cc(C)nc45)CC3)on2)c1
InChIInChI=1S/C25H29N5O3/c1-17-11-18(2)30-24(27-17)20(15-26-30)16-29-9-7-25(31,8-10-29)14-22-13-23(28-33-22)19-5-4-6-21(12-19)32-3/h4-6,11-13,15,31H,7-10,14,16H2,1-3H3
InChIKeyBRXCMCGPRUIRCH-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.58
Rot. Bonds6

About 1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol

1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol (PubChem CID 26326655) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol
PubChem CID26326655
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol
SMILESCOc1cccc(-c2cc(CC3(O)CCN(Cc4cnn5c(C)cc(C)nc45)CC3)on2)c1
InChIInChI=1S/C25H29N5O3/c1-17-11-18(2)30-24(27-17)20(15-26-30)16-29-9-7-25(31,8-10-29)14-22-13-23(28-33-22)19-5-4-6-21(12-19)32-3/h4-6,11-13,15,31H,7-10,14,16H2,1-3H3
InChIKeyBRXCMCGPRUIRCH-UHFFFAOYSA-N
XLogP3.58
TPSA88.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol with MolForge

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Related Compounds

1-[[5-(hydroxymethyl)furan-2-yl]methyl]-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol
CID 91828345
4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 26328797
4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(2R)-2-methylbutyl]piperidin-4-ol
CID 42383406
4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-(4,4,4-trifluorobutyl)piperidin-4-ol
CID 26325119
1-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol
CID 28685301
4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-(oxan-4-yl)piperidin-4-ol
CID 42565711
[4-hydroxy-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 56911451
1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol
CID 156606937
1-[4-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-1,4-diazepan-1-yl]-2-methoxyethanone
CID 56709167
1-[(1-ethylbenzimidazol-2-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol
CID 42596543
4-(hydroxymethyl)-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidin-4-ol
CID 56752239
1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol
CID 42454719

Frequently Asked Questions

What is the IUPAC name of 1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol (CID 26326655) is 1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol is COc1cccc(-c2cc(CC3(O)CCN(Cc4cnn5c(C)cc(C)nc45)CC3)on2)c1.
What is the InChIKey of 1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol?
The InChIKey is BRXCMCGPRUIRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-17-11-18(2)30-24(27-17)20(15-26-30)16-29-9-7-25(31,8-10-29)14-22-13-23(28-33-22)19-5-4-6-21(12-19)32-3/h4-6,11-13,15,31H,7-10,14,16H2,1-3H3.
What are the key properties of 1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol?
1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol has a molecular weight of 447.54 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 26326655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).