1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-[5,7-dimethyl-2-[(3S)-1-propanoylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one

C25H37N5O2 — CID 126417241

IUPAC1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-[5,7-dimethyl-2-[(3S)-1-propanoylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one
SMILESCCC(=O)N1CC[C@H](c2cc3nc(C)c(CCC(=O)N4C[C@H](C)C[C@@H](C)C4)c(C)n3n2)C1
InChIInChI=1S/C25H37N5O2/c1-6-24(31)28-10-9-20(15-28)22-12-23-26-18(4)21(19(5)30(23)27-22)7-8-25(32)29-13-16(2)11-17(3)14-29/h12,16-17,20H,6-11,13-15H2,1-5H3/t16-,17-,20+/m1/s1
InChIKeyHCKRMXYKBXGGGX-HLIPFELVSA-N
MW439.60 g/mol
LogP3.51
Rot. Bonds5

About 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-[5,7-dimethyl-2-[(3S)-1-propanoylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one

1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-[5,7-dimethyl-2-[(3S)-1-propanoylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one (PubChem CID 126417241) has the molecular formula C25H37N5O2 and a molecular weight of 439.60 g/mol. Its IUPAC name is 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-[5,7-dimethyl-2-[(3S)-1-propanoylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one.

Molecular Properties

Compound Name1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-[5,7-dimethyl-2-[(3S)-1-propanoylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one
PubChem CID126417241
Molecular FormulaC25H37N5O2
Molecular Weight439.60 g/mol
Exact Mass439.29
IUPAC Name1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-[5,7-dimethyl-2-[(3S)-1-propanoylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one
SMILESCCC(=O)N1CC[C@H](c2cc3nc(C)c(CCC(=O)N4C[C@H](C)C[C@@H](C)C4)c(C)n3n2)C1
InChIInChI=1S/C25H37N5O2/c1-6-24(31)28-10-9-20(15-28)22-12-23-26-18(4)21(19(5)30(23)27-22)7-8-25(32)29-13-16(2)11-17(3)14-29/h12,16-17,20H,6-11,13-15H2,1-5H3/t16-,17-,20+/m1/s1
InChIKeyHCKRMXYKBXGGGX-HLIPFELVSA-N
XLogP3.51
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-[5,7-dimethyl-2-[(3S)-1-propanoylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one with MolForge

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Related Compounds

3-[2-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 125022741
N-(cyclohexylmethyl)-3-[5,7-dimethyl-2-[(3R)-1-propanoylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 124948099
N-[(2R)-butan-2-yl]-3-[2-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 124992623
N-[(2R)-butan-2-yl]-3-[2-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 124992625
3-[2-[(3R)-1-acetylpyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-tert-butylpropanamide
CID 95829733
1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 9489833
N-[(2S)-butan-2-yl]-3-[2-[(3S)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 125019943
1-[(3R)-3-ethoxypiperidin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 95582796
1-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 51327542
3-[5,7-dimethyl-2-[(2R)-1-propan-2-ylpyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 124952047
3-[2-(1-cyclopentylpyrrolidin-2-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 110088000
3-[2-[(3S)-1-acetylpyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 124978334

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-[5,7-dimethyl-2-[(3S)-1-propanoylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one?
The IUPAC name of 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-[5,7-dimethyl-2-[(3S)-1-propanoylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one (CID 126417241) is 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-[5,7-dimethyl-2-[(3S)-1-propanoylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one.
What is the SMILES notation for 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-[5,7-dimethyl-2-[(3S)-1-propanoylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one?
The canonical SMILES for 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-[5,7-dimethyl-2-[(3S)-1-propanoylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one is CCC(=O)N1CC[C@H](c2cc3nc(C)c(CCC(=O)N4C[C@H](C)C[C@@H](C)C4)c(C)n3n2)C1.
What is the InChIKey of 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-[5,7-dimethyl-2-[(3S)-1-propanoylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one?
The InChIKey is HCKRMXYKBXGGGX-HLIPFELVSA-N. The full InChI is InChI=1S/C25H37N5O2/c1-6-24(31)28-10-9-20(15-28)22-12-23-26-18(4)21(19(5)30(23)27-22)7-8-25(32)29-13-16(2)11-17(3)14-29/h12,16-17,20H,6-11,13-15H2,1-5H3/t16-,17-,20+/m1/s1.
What are the key properties of 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-[5,7-dimethyl-2-[(3S)-1-propanoylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one?
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-[5,7-dimethyl-2-[(3S)-1-propanoylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one has a molecular weight of 439.60 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-[5,7-dimethyl-2-[(3S)-1-propanoylpyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propan-1-one is sourced from PubChem (CID 126417241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).