3-[2-[(2R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide

C25H35N5O2 — CID 125002508

IUPAC3-[2-[(2R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide
SMILESCCCNC(=O)CCc1c(C)nc2cc([C@H]3CCCN3C(=O)[C@@H]3CC=CCC3)nn2c1C
InChIInChI=1S/C25H35N5O2/c1-4-14-26-24(31)13-12-20-17(2)27-23-16-21(28-30(23)18(20)3)22-11-8-15-29(22)25(32)19-9-6-5-7-10-19/h5-6,16,19,22H,4,7-15H2,1-3H3,(H,26,31)/t19-,22-/m1/s1
InChIKeySKWMFVZGAXZZJR-DENIHFKCSA-N
MW437.59 g/mol
LogP3.82
Rot. Bonds7

About 3-[2-[(2R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide

3-[2-[(2R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide (PubChem CID 125002508) has the molecular formula C25H35N5O2 and a molecular weight of 437.59 g/mol. Its IUPAC name is 3-[2-[(2R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide.

Molecular Properties

Compound Name3-[2-[(2R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide
PubChem CID125002508
Molecular FormulaC25H35N5O2
Molecular Weight437.59 g/mol
Exact Mass437.28
IUPAC Name3-[2-[(2R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide
SMILESCCCNC(=O)CCc1c(C)nc2cc([C@H]3CCCN3C(=O)[C@@H]3CC=CCC3)nn2c1C
InChIInChI=1S/C25H35N5O2/c1-4-14-26-24(31)13-12-20-17(2)27-23-16-21(28-30(23)18(20)3)22-11-8-15-29(22)25(32)19-9-6-5-7-10-19/h5-6,16,19,22H,4,7-15H2,1-3H3,(H,26,31)/t19-,22-/m1/s1
InChIKeySKWMFVZGAXZZJR-DENIHFKCSA-N
XLogP3.82
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[2-[(2S)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-prop-2-ynylpropanamide
CID 124970331
N-cyclohexyl-3-[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 95811609
3-[2-[(2S)-1-(cyclopropanecarbonyl)piperidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-cyclopropylpropanamide
CID 125003838
3-[5,7-dimethyl-2-[1-[(3-methylphenyl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide
CID 110088017
3-[5,7-dimethyl-2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide
CID 95811580
3-[5,7-dimethyl-2-[(2R)-1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide
CID 124944946
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-[5,7-dimethyl-2-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide
CID 110087940
N-cyclopentyl-3-[5,7-dimethyl-2-[(2R)-1-[(2S)-2-methylbutanoyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 125011811
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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide?
The IUPAC name of 3-[2-[(2R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide (CID 125002508) is 3-[2-[(2R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide.
What is the SMILES notation for 3-[2-[(2R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide?
The canonical SMILES for 3-[2-[(2R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide is CCCNC(=O)CCc1c(C)nc2cc([C@H]3CCCN3C(=O)[C@@H]3CC=CCC3)nn2c1C.
What is the InChIKey of 3-[2-[(2R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide?
The InChIKey is SKWMFVZGAXZZJR-DENIHFKCSA-N. The full InChI is InChI=1S/C25H35N5O2/c1-4-14-26-24(31)13-12-20-17(2)27-23-16-21(28-30(23)18(20)3)22-11-8-15-29(22)25(32)19-9-6-5-7-10-19/h5-6,16,19,22H,4,7-15H2,1-3H3,(H,26,31)/t19-,22-/m1/s1.
What are the key properties of 3-[2-[(2R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide?
3-[2-[(2R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide has a molecular weight of 437.59 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]pyrrolidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-propylpropanamide is sourced from PubChem (CID 125002508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).