2-methyl-6-[2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H22N6O3 — CID 56896455

IUPAC2-methyl-6-[2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2ncc(C(=O)N3CCNCC3C(=O)N3CCCC3)c(=O)n2[nH]1
InChIInChI=1S/C17H22N6O3/c1-11-8-14-19-9-12(16(25)23(14)20-11)15(24)22-7-4-18-10-13(22)17(26)21-5-2-3-6-21/h8-9,13,18,20H,2-7,10H2,1H3
InChIKeyKNOFVPLPEHWYFL-UHFFFAOYSA-N
MW358.40 g/mol
LogP-0.63
Rot. Bonds2

About 2-methyl-6-[2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-methyl-6-[2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 56896455) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-methyl-6-[2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-6-[2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID56896455
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC Name2-methyl-6-[2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2ncc(C(=O)N3CCNCC3C(=O)N3CCCC3)c(=O)n2[nH]1
InChIInChI=1S/C17H22N6O3/c1-11-8-14-19-9-12(16(25)23(14)20-11)15(24)22-7-4-18-10-13(22)17(26)21-5-2-3-6-21/h8-9,13,18,20H,2-7,10H2,1H3
InChIKeyKNOFVPLPEHWYFL-UHFFFAOYSA-N
XLogP-0.63
TPSA102.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-methyl-6-[2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 56896455) is 2-methyl-6-[2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-6-[2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-methyl-6-[2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2ncc(C(=O)N3CCNCC3C(=O)N3CCCC3)c(=O)n2[nH]1.
What is the InChIKey of 2-methyl-6-[2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is KNOFVPLPEHWYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3/c1-11-8-14-19-9-12(16(25)23(14)20-11)15(24)22-7-4-18-10-13(22)17(26)21-5-2-3-6-21/h8-9,13,18,20H,2-7,10H2,1H3.
What are the key properties of 2-methyl-6-[2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-methyl-6-[2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 358.40 g/mol, XLogP of -0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 56896455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).