2-methyl-5-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H27N5O2 — CID 56895207

IUPAC2-methyl-5-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(CN3CCCCC3CCN3CCCC3=O)cc(=O)n2[nH]1
InChIInChI=1S/C19H27N5O2/c1-14-11-17-20-15(12-19(26)24(17)21-14)13-23-8-3-2-5-16(23)7-10-22-9-4-6-18(22)25/h11-12,16,21H,2-10,13H2,1H3
InChIKeyLLLPWCMMWHDLMH-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.70
Rot. Bonds5

About 2-methyl-5-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-methyl-5-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 56895207) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-methyl-5-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-5-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID56895207
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name2-methyl-5-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(CN3CCCCC3CCN3CCCC3=O)cc(=O)n2[nH]1
InChIInChI=1S/C19H27N5O2/c1-14-11-17-20-15(12-19(26)24(17)21-14)13-23-8-3-2-5-16(23)7-10-22-9-4-6-18(22)25/h11-12,16,21H,2-10,13H2,1H3
InChIKeyLLLPWCMMWHDLMH-UHFFFAOYSA-N
XLogP1.70
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-methyl-5-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 56895207) is 2-methyl-5-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-5-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-methyl-5-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2nc(CN3CCCCC3CCN3CCCC3=O)cc(=O)n2[nH]1.
What is the InChIKey of 2-methyl-5-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is LLLPWCMMWHDLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-14-11-17-20-15(12-19(26)24(17)21-14)13-23-8-3-2-5-16(23)7-10-22-9-4-6-18(22)25/h11-12,16,21H,2-10,13H2,1H3.
What are the key properties of 2-methyl-5-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-methyl-5-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 357.46 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 56895207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).