5-methyl-2-[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H23N5O3 — CID 46960245

IUPAC5-methyl-2-[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(C3CCCN(C(=O)C4CC(=O)N(C)C4)C3)cc2n1
InChIInChI=1S/C18H23N5O3/c1-11-6-17(25)23-15(19-11)8-14(20-23)12-4-3-5-22(10-12)18(26)13-7-16(24)21(2)9-13/h6,8,12-13,20H,3-5,7,9-10H2,1-2H3
InChIKeyDSWNJRAGVQQQQK-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.52
Rot. Bonds2

About 5-methyl-2-[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-methyl-2-[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 46960245) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-methyl-2-[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-2-[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID46960245
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name5-methyl-2-[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(C3CCCN(C(=O)C4CC(=O)N(C)C4)C3)cc2n1
InChIInChI=1S/C18H23N5O3/c1-11-6-17(25)23-15(19-11)8-14(20-23)12-4-3-5-22(10-12)18(26)13-7-16(24)21(2)9-13/h6,8,12-13,20H,3-5,7,9-10H2,1-2H3
InChIKeyDSWNJRAGVQQQQK-UHFFFAOYSA-N
XLogP0.52
TPSA90.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-2-[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 46960245) is 5-methyl-2-[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-2-[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-2-[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(C3CCCN(C(=O)C4CC(=O)N(C)C4)C3)cc2n1.
What is the InChIKey of 5-methyl-2-[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is DSWNJRAGVQQQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-11-6-17(25)23-15(19-11)8-14(20-23)12-4-3-5-22(10-12)18(26)13-7-16(24)21(2)9-13/h6,8,12-13,20H,3-5,7,9-10H2,1-2H3.
What are the key properties of 5-methyl-2-[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-methyl-2-[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 357.41 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[1-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 46960245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).