[2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]methanone

C24H27N5O2 — CID 141490176

IUPAC[2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]methanone
SMILESCc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2cc(C)[nH]n2)n1
InChIInChI=1S/C24H27N5O2/c1-14-10-15(2)26-24(25-14)31-13-17-12-18-8-9-22(17)29(18)23(30)20-7-5-4-6-19(20)21-11-16(3)27-28-21/h4-7,10-11,17-18,22H,8-9,12-13H2,1-3H3,(H,27,28)
InChIKeyMZYPVWLSQJCXLZ-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.86
Rot. Bonds5

About [2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]methanone

[2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]methanone (PubChem CID 141490176) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is [2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]methanone
PubChem CID141490176
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name[2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]methanone
SMILESCc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2cc(C)[nH]n2)n1
InChIInChI=1S/C24H27N5O2/c1-14-10-15(2)26-24(25-14)31-13-17-12-18-8-9-22(17)29(18)23(30)20-7-5-4-6-19(20)21-11-16(3)27-28-21/h4-7,10-11,17-18,22H,8-9,12-13H2,1-3H3,(H,27,28)
InChIKeyMZYPVWLSQJCXLZ-UHFFFAOYSA-N
XLogP3.86
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]methanone with MolForge

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Related Compounds

(2-phenylphenyl)-[2-[4-(1H-pyrazol-4-yl)pyrimidin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 52917319
US9586962, Example 473
CID 66575658
US9586962, Example 284
CID 67116706
US9586962, Example 474
CID 70981830
[2-(1,3-Dihydrotriazol-2-yl)-3-fluorophenyl]-[2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 118868011
[2-(5-methyl-1H-pyrazol-3-yl)phenyl]-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 141490168
[2-(2-Hydroxy-5-methylpyrazol-3-yl)phenyl]-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 142798918
N-((1r,4r)-4-((4,6-dimethylpyrimidin-2-yl)oxy)cyclohexyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 90634609
[3-[[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]amino]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]-phenylmethanone
CID 59272779
[2-[(4,6-Dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(3-methyloxatriazol-3-ium-5-yl)phenyl]methanone
CID 140761067
[2-[(4,6-Dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(3-methyl-1-oxa-4-aza-3-azonia-2-azanidacyclopent-4-en-5-yl)phenyl]methanone
CID 164030256
2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 52815803

Frequently Asked Questions

What is the IUPAC name of [2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]methanone?
The IUPAC name of [2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]methanone (CID 141490176) is [2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]methanone.
What is the SMILES notation for [2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]methanone?
The canonical SMILES for [2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]methanone is Cc1cc(C)nc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2cc(C)[nH]n2)n1.
What is the InChIKey of [2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]methanone?
The InChIKey is MZYPVWLSQJCXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-14-10-15(2)26-24(25-14)31-13-17-12-18-8-9-22(17)29(18)23(30)20-7-5-4-6-19(20)21-11-16(3)27-28-21/h4-7,10-11,17-18,22H,8-9,12-13H2,1-3H3,(H,27,28).
What are the key properties of [2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]methanone?
[2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]methanone has a molecular weight of 417.51 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(5-methyl-1H-pyrazol-3-yl)phenyl]methanone is sourced from PubChem (CID 141490176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).