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

C20H33N5O2 — CID 20928963

IUPAC4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide
SMILESCc1cc2n(n1)CCC(=O)N2CCCC(=O)NCCCN1CCCCC1C
InChIInChI=1S/C20H33N5O2/c1-16-15-19-24(20(27)9-14-25(19)22-16)13-5-8-18(26)21-10-6-12-23-11-4-3-7-17(23)2/h15,17H,3-14H2,1-2H3,(H,21,26)
InChIKeyYNWOEKIVUGWIAK-UHFFFAOYSA-N
MW375.52 g/mol
LogP2.09
Rot. Bonds8

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

4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide (PubChem CID 20928963) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide.

Molecular Properties

Compound Name4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide
PubChem CID20928963
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide
SMILESCc1cc2n(n1)CCC(=O)N2CCCC(=O)NCCCN1CCCCC1C
InChIInChI=1S/C20H33N5O2/c1-16-15-19-24(20(27)9-14-25(19)22-16)13-5-8-18(26)21-10-6-12-23-11-4-3-7-17(23)2/h15,17H,3-14H2,1-2H3,(H,21,26)
InChIKeyYNWOEKIVUGWIAK-UHFFFAOYSA-N
XLogP2.09
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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-(2-methylpiperidin-1-yl)propyl]butanamide?
The IUPAC name of 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide (CID 20928963) is 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide.
What is the SMILES notation for 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide?
The canonical SMILES for 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide is Cc1cc2n(n1)CCC(=O)N2CCCC(=O)NCCCN1CCCCC1C.
What is the InChIKey of 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide?
The InChIKey is YNWOEKIVUGWIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-16-15-19-24(20(27)9-14-25(19)22-16)13-5-8-18(26)21-10-6-12-23-11-4-3-7-17(23)2/h15,17H,3-14H2,1-2H3,(H,21,26).
What are the key properties of 4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide?
4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide has a molecular weight of 375.52 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 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-(2-methylpiperidin-1-yl)propyl]butanamide is sourced from PubChem (CID 20928963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).