3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-morpholin-4-ylpropyl)propanamide

C24H31N5O2 — CID 20862990

IUPAC3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-morpholin-4-ylpropyl)propanamide
SMILESCc1nc2cc(-c3ccccc3)nn2c(C)c1CCC(=O)NCCCN1CCOCC1
InChIInChI=1S/C24H31N5O2/c1-18-21(9-10-24(30)25-11-6-12-28-13-15-31-16-14-28)19(2)29-23(26-18)17-22(27-29)20-7-4-3-5-8-20/h3-5,7-8,17H,6,9-16H2,1-2H3,(H,25,30)
InChIKeyCCKLQFIJZKWPLD-UHFFFAOYSA-N
MW421.55 g/mol
LogP2.78
Rot. Bonds8

About 3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-morpholin-4-ylpropyl)propanamide

3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-morpholin-4-ylpropyl)propanamide (PubChem CID 20862990) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-morpholin-4-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-morpholin-4-ylpropyl)propanamide
PubChem CID20862990
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-morpholin-4-ylpropyl)propanamide
SMILESCc1nc2cc(-c3ccccc3)nn2c(C)c1CCC(=O)NCCCN1CCOCC1
InChIInChI=1S/C24H31N5O2/c1-18-21(9-10-24(30)25-11-6-12-28-13-15-31-16-14-28)19(2)29-23(26-18)17-22(27-29)20-7-4-3-5-8-20/h3-5,7-8,17H,6,9-16H2,1-2H3,(H,25,30)
InChIKeyCCKLQFIJZKWPLD-UHFFFAOYSA-N
XLogP2.78
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-morpholin-4-ylpropyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 30532438
2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 23604016
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 24619762
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 122175591
N-cyclopentyl-3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 6619700
N'-[1-(3-methylphenyl)-3-phenylpyrazol-5-yl]-N-(3-morpholin-4-ylpropyl)butanediamide
CID 3971109
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-phenylethyl)propanamide
CID 20862911
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 20862959
3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 6622461
3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-propan-2-yloxypropyl)propanamide
CID 20863197
3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-methylbutyl)propanamide
CID 20863195
N-(2,3-dimethylphenyl)-3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 20862983

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-morpholin-4-ylpropyl)propanamide?
The IUPAC name of 3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-morpholin-4-ylpropyl)propanamide (CID 20862990) is 3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-morpholin-4-ylpropyl)propanamide.
What is the SMILES notation for 3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-morpholin-4-ylpropyl)propanamide?
The canonical SMILES for 3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-morpholin-4-ylpropyl)propanamide is Cc1nc2cc(-c3ccccc3)nn2c(C)c1CCC(=O)NCCCN1CCOCC1.
What is the InChIKey of 3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-morpholin-4-ylpropyl)propanamide?
The InChIKey is CCKLQFIJZKWPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-18-21(9-10-24(30)25-11-6-12-28-13-15-31-16-14-28)19(2)29-23(26-18)17-22(27-29)20-7-4-3-5-8-20/h3-5,7-8,17H,6,9-16H2,1-2H3,(H,25,30).
What are the key properties of 3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-morpholin-4-ylpropyl)propanamide?
3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-morpholin-4-ylpropyl)propanamide has a molecular weight of 421.55 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-morpholin-4-ylpropyl)propanamide is sourced from PubChem (CID 20862990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).