(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone

C18H24N4O — CID 84575859

IUPAC(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
SMILESCc1cc2nccc(C(=O)N3CC4(C)CC3CC(C)(C)C4)n2n1
InChIInChI=1S/C18H24N4O/c1-12-7-15-19-6-5-14(22(15)20-12)16(23)21-11-18(4)9-13(21)8-17(2,3)10-18/h5-7,13H,8-11H2,1-4H3
InChIKeyKDSWNEXOUGQMMX-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.08
Rot. Bonds1

About (2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone

(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone (PubChem CID 84575859) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is (2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone.

Molecular Properties

Compound Name(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
PubChem CID84575859
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
SMILESCc1cc2nccc(C(=O)N3CC4(C)CC3CC(C)(C)C4)n2n1
InChIInChI=1S/C18H24N4O/c1-12-7-15-19-6-5-14(22(15)20-12)16(23)21-11-18(4)9-13(21)8-17(2,3)10-18/h5-7,13H,8-11H2,1-4H3
InChIKeyKDSWNEXOUGQMMX-UHFFFAOYSA-N
XLogP3.08
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-(Dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 110272191
[2-[4-(Dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone
CID 118740247
(6-Bromopyrazolo[1,5-a]pyrimidin-2-yl)(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methanone
CID 2979122
N-cyclohexyl-7-(dimethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53171780
N-cyclohexyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53171797
3-{[5-Methyl-1-(propan-2-YL)-1H-imidazol-2-YL]methyl}-1-(1-methyl-1H-pyrazole-5-carbonyl)piperidine
CID 124053006
2-Azaspiro[5.5]undecan-2-yl-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 84583823
7-methyl-3-{[rac-(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl]carbonyl}[1,2,4]triazolo[4,3-a]pyrimidine
CID 119064146
(4-Ethylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-5-ylmethanone
CID 126834528
(3,3-Diethylpyrrolidin-1-yl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 138001081
[(1S,5R)-6-azabicyclo[3.2.1]octan-6-yl]-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 164632357
[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 164632532

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
The IUPAC name of (2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone (CID 84575859) is (2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone.
What is the SMILES notation for (2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
The canonical SMILES for (2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone is Cc1cc2nccc(C(=O)N3CC4(C)CC3CC(C)(C)C4)n2n1.
What is the InChIKey of (2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
The InChIKey is KDSWNEXOUGQMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-12-7-15-19-6-5-14(22(15)20-12)16(23)21-11-18(4)9-13(21)8-17(2,3)10-18/h5-7,13H,8-11H2,1-4H3.
What are the key properties of (2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone has a molecular weight of 312.42 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazolo[1,5-a]pyrimidin-7-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone is sourced from PubChem (CID 84575859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).