2-[1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C22H35N5O — CID 46966692

IUPAC2-[1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)nc2cc(C3CCN(CC(C)(C)CN4CCCC4)C3)[nH]n2c1=O
InChIInChI=1S/C22H35N5O/c1-5-18-16(2)23-20-12-19(24-27(20)21(18)28)17-8-11-26(13-17)15-22(3,4)14-25-9-6-7-10-25/h12,17,24H,5-11,13-15H2,1-4H3
InChIKeyFHDBBYQOHMIFBS-UHFFFAOYSA-N
MW385.56 g/mol
LogP2.80
Rot. Bonds6

About 2-[1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-[1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 46966692) has the molecular formula C22H35N5O and a molecular weight of 385.56 g/mol. Its IUPAC name is 2-[1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID46966692
Molecular FormulaC22H35N5O
Molecular Weight385.56 g/mol
Exact Mass385.28
IUPAC Name2-[1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)nc2cc(C3CCN(CC(C)(C)CN4CCCC4)C3)[nH]n2c1=O
InChIInChI=1S/C22H35N5O/c1-5-18-16(2)23-20-12-19(24-27(20)21(18)28)17-8-11-26(13-17)15-22(3,4)14-25-9-6-7-10-25/h12,17,24H,5-11,13-15H2,1-4H3
InChIKeyFHDBBYQOHMIFBS-UHFFFAOYSA-N
XLogP2.80
TPSA56.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.56
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-[1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 46966692) is 2-[1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-[1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-[1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1c(C)nc2cc(C3CCN(CC(C)(C)CN4CCCC4)C3)[nH]n2c1=O.
What is the InChIKey of 2-[1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is FHDBBYQOHMIFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O/c1-5-18-16(2)23-20-12-19(24-27(20)21(18)28)17-8-11-26(13-17)15-22(3,4)14-25-9-6-7-10-25/h12,17,24H,5-11,13-15H2,1-4H3.
What are the key properties of 2-[1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-[1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 385.56 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 46966692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).