2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(3,4-dipropoxyphenyl)ethyl]acetamide

C24H32N4O4 — CID 56546656

IUPAC2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(3,4-dipropoxyphenyl)ethyl]acetamide
SMILESCCCOc1ccc(C(C)NC(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)cc1OCCC
InChIInChI=1S/C24H32N4O4/c1-6-10-31-20-9-8-18(12-21(20)32-11-7-2)15(3)26-23(29)13-19-16(4)25-22-14-24(30)27-28(22)17(19)5/h8-9,12,14-15H,6-7,10-11,13H2,1-5H3,(H,26,29)(H,27,30)
InChIKeyYIWROCZNVRZVRD-UHFFFAOYSA-N
MW440.54 g/mol
LogP3.64
Rot. Bonds10

About 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(3,4-dipropoxyphenyl)ethyl]acetamide

2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(3,4-dipropoxyphenyl)ethyl]acetamide (PubChem CID 56546656) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(3,4-dipropoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(3,4-dipropoxyphenyl)ethyl]acetamide
PubChem CID56546656
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Name2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(3,4-dipropoxyphenyl)ethyl]acetamide
SMILESCCCOc1ccc(C(C)NC(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)cc1OCCC
InChIInChI=1S/C24H32N4O4/c1-6-10-31-20-9-8-18(12-21(20)32-11-7-2)15(3)26-23(29)13-19-16(4)25-22-14-24(30)27-28(22)17(19)5/h8-9,12,14-15H,6-7,10-11,13H2,1-5H3,(H,26,29)(H,27,30)
InChIKeyYIWROCZNVRZVRD-UHFFFAOYSA-N
XLogP3.64
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(4-bromophenyl)-2-[[2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetate
CID 56538949
3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(1-phenylethyl)propanamide
CID 51100400
propan-2-yl 3-[[2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]-3-phenylpropanoate
CID 56531842
N-[1-(3,4-diethoxyphenyl)ethyl]-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 43067902
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 55395340
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(1,4-diphenylbutyl)acetamide
CID 56538657
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-hydroxy-2-methylpentyl)acetamide
CID 111447418
(4-chloro-2-methylphenyl) 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate
CID 56531627
N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 46514677
2-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide
CID 119888547
N-[2-[1-(3,4-dipropoxyphenyl)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 43017375
N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 55502933

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(3,4-dipropoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(3,4-dipropoxyphenyl)ethyl]acetamide (CID 56546656) is 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(3,4-dipropoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(3,4-dipropoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(3,4-dipropoxyphenyl)ethyl]acetamide is CCCOc1ccc(C(C)NC(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)cc1OCCC.
What is the InChIKey of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(3,4-dipropoxyphenyl)ethyl]acetamide?
The InChIKey is YIWROCZNVRZVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-6-10-31-20-9-8-18(12-21(20)32-11-7-2)15(3)26-23(29)13-19-16(4)25-22-14-24(30)27-28(22)17(19)5/h8-9,12,14-15H,6-7,10-11,13H2,1-5H3,(H,26,29)(H,27,30).
What are the key properties of 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(3,4-dipropoxyphenyl)ethyl]acetamide?
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(3,4-dipropoxyphenyl)ethyl]acetamide has a molecular weight of 440.54 g/mol, XLogP of 3.64, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-(3,4-dipropoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 56546656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).