3-[2-[(2R)-1-(cyclohexylmethyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one

C26H39N5O — CID 125018564

IUPAC3-[2-[(2R)-1-(cyclohexylmethyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1nc2cc([C@H]3CCCN3CC3CCCCC3)nn2c(C)c1CCC(=O)N1CCCC1
InChIInChI=1S/C26H39N5O/c1-19-22(12-13-26(32)29-14-6-7-15-29)20(2)31-25(27-19)17-23(28-31)24-11-8-16-30(24)18-21-9-4-3-5-10-21/h17,21,24H,3-16,18H2,1-2H3/t24-/m1/s1
InChIKeyXPPUJMIOJXXUEF-XMMPIXPASA-N
MW437.63 g/mol
LogP4.62
Rot. Bonds6

About 3-[2-[(2R)-1-(cyclohexylmethyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one

3-[2-[(2R)-1-(cyclohexylmethyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 125018564) has the molecular formula C26H39N5O and a molecular weight of 437.63 g/mol. Its IUPAC name is 3-[2-[(2R)-1-(cyclohexylmethyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[2-[(2R)-1-(cyclohexylmethyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID125018564
Molecular FormulaC26H39N5O
Molecular Weight437.63 g/mol
Exact Mass437.32
IUPAC Name3-[2-[(2R)-1-(cyclohexylmethyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1nc2cc([C@H]3CCCN3CC3CCCCC3)nn2c(C)c1CCC(=O)N1CCCC1
InChIInChI=1S/C26H39N5O/c1-19-22(12-13-26(32)29-14-6-7-15-29)20(2)31-25(27-19)17-23(28-31)24-11-8-16-30(24)18-21-9-4-3-5-10-21/h17,21,24H,3-16,18H2,1-2H3/t24-/m1/s1
InChIKeyXPPUJMIOJXXUEF-XMMPIXPASA-N
XLogP4.62
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.63
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[2-[(2R)-1-(cyclohexylmethyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one with MolForge

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Related Compounds

3-[2-[(2S)-1-cyclopentylpyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-piperidin-1-ylpropan-1-one
CID 124947400
3-[2-(1-cyclopentylpyrrolidin-2-yl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 110088000
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
1-[2-[5,7-dimethyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-ethylbutan-1-one
CID 127244544
(2R)-1-[(2S)-2-[5,7-dimethyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-methylbutan-1-one
CID 124974537
1-[2-[5,7-dimethyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-methylbutan-1-one
CID 110087968
2-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 124972680
3-[2-[(2R)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2,2-difluoroethyl)propanamide
CID 95811585
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
3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 6622461
N-cyclohexyl-3-[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 95811609
1-[(3R)-3-ethoxypiperidin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 95582796

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2R)-1-(cyclohexylmethyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[2-[(2R)-1-(cyclohexylmethyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 125018564) is 3-[2-[(2R)-1-(cyclohexylmethyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[2-[(2R)-1-(cyclohexylmethyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[2-[(2R)-1-(cyclohexylmethyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one is Cc1nc2cc([C@H]3CCCN3CC3CCCCC3)nn2c(C)c1CCC(=O)N1CCCC1.
What is the InChIKey of 3-[2-[(2R)-1-(cyclohexylmethyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is XPPUJMIOJXXUEF-XMMPIXPASA-N. The full InChI is InChI=1S/C26H39N5O/c1-19-22(12-13-26(32)29-14-6-7-15-29)20(2)31-25(27-19)17-23(28-31)24-11-8-16-30(24)18-21-9-4-3-5-10-21/h17,21,24H,3-16,18H2,1-2H3/t24-/m1/s1.
What are the key properties of 3-[2-[(2R)-1-(cyclohexylmethyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one?
3-[2-[(2R)-1-(cyclohexylmethyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 437.63 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2R)-1-(cyclohexylmethyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 125018564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).