4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-morpholin-4-ylpropyl)butanamide

C18H29N5O3 — CID 20928937

IUPAC4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-morpholin-4-ylpropyl)butanamide
SMILESCc1cc2n(n1)CCC(=O)N2CCCC(=O)NCCCN1CCOCC1
InChIInChI=1S/C18H29N5O3/c1-15-14-17-22(18(25)5-9-23(17)20-15)8-2-4-16(24)19-6-3-7-21-10-12-26-13-11-21/h14H,2-13H2,1H3,(H,19,24)
InChIKeyAMHXSAFPYRSGPX-UHFFFAOYSA-N
MW363.46 g/mol
LogP0.55
Rot. Bonds8

About 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-morpholin-4-ylpropyl)butanamide

4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-morpholin-4-ylpropyl)butanamide (PubChem CID 20928937) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-morpholin-4-ylpropyl)butanamide.

Molecular Properties

Compound Name4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-morpholin-4-ylpropyl)butanamide
PubChem CID20928937
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-morpholin-4-ylpropyl)butanamide
SMILESCc1cc2n(n1)CCC(=O)N2CCCC(=O)NCCCN1CCOCC1
InChIInChI=1S/C18H29N5O3/c1-15-14-17-22(18(25)5-9-23(17)20-15)8-2-4-16(24)19-6-3-7-21-10-12-26-13-11-21/h14H,2-13H2,1H3,(H,19,24)
InChIKeyAMHXSAFPYRSGPX-UHFFFAOYSA-N
XLogP0.55
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 50.55
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

(R)-7-isopropyl-2-((R)-3-methylmorpholino)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 157049303
(7R)-2-morpholin-4-yl-7-propan-2-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 168273898
(7S)-7-ethyl-2-[(3R)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 163276645
N-(2,5-dimethylpyrazol-3-yl)-2-(2-ethylmorpholin-4-yl)acetamide
CID 45810934
1-(2,5-Dimethylpyrazol-3-yl)-3-(2-morpholin-4-ylpropyl)urea
CID 45821212
2-[2-[(dimethylamino)methyl]morpholin-4-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 53618525
Cyclopropyl-[4-[(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl)methylamino]piperidin-1-yl]methanone
CID 136196595
4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(3-propan-2-yloxypropyl)butanamide
CID 46282409
N-(3-methylbutyl)-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928939
N-(2-methoxyethyl)-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928944
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928950
N-(3-Ethoxypropyl)-4-{2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidin-4-YL}butanamide
CID 20928953

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-morpholin-4-ylpropyl)butanamide?
The IUPAC name of 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-morpholin-4-ylpropyl)butanamide (CID 20928937) is 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-morpholin-4-ylpropyl)butanamide.
What is the SMILES notation for 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-morpholin-4-ylpropyl)butanamide?
The canonical SMILES for 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-morpholin-4-ylpropyl)butanamide is Cc1cc2n(n1)CCC(=O)N2CCCC(=O)NCCCN1CCOCC1.
What is the InChIKey of 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-morpholin-4-ylpropyl)butanamide?
The InChIKey is AMHXSAFPYRSGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-15-14-17-22(18(25)5-9-23(17)20-15)8-2-4-16(24)19-6-3-7-21-10-12-26-13-11-21/h14H,2-13H2,1H3,(H,19,24).
What are the key properties of 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-morpholin-4-ylpropyl)butanamide?
4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-morpholin-4-ylpropyl)butanamide has a molecular weight of 363.46 g/mol, XLogP of 0.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-morpholin-4-ylpropyl)butanamide is sourced from PubChem (CID 20928937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).