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

C22H28N4O3 — CID 110215997

IUPAC2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1cc(=O)n2[nH]c(C3CCCCN3Cc3cccc(OC)c3OC)cc2n1
InChIInChI=1S/C22H28N4O3/c1-4-16-12-21(27)26-20(23-16)13-17(24-26)18-9-5-6-11-25(18)14-15-8-7-10-19(28-2)22(15)29-3/h7-8,10,12-13,18,24H,4-6,9,11,14H2,1-3H3
InChIKeyRBNONPBRUXABBX-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.33
Rot. Bonds6

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

2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110215997) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID110215997
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1cc(=O)n2[nH]c(C3CCCCN3Cc3cccc(OC)c3OC)cc2n1
InChIInChI=1S/C22H28N4O3/c1-4-16-12-21(27)26-20(23-16)13-17(24-26)18-9-5-6-11-25(18)14-15-8-7-10-19(28-2)22(15)29-3/h7-8,10,12-13,18,24H,4-6,9,11,14H2,1-3H3
InChIKeyRBNONPBRUXABBX-UHFFFAOYSA-N
XLogP3.33
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-2-[1-[(2-methoxyphenyl)methyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110215994
5-ethyl-2-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46955804
2-[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110215993
5-[(1R)-1-[(2,3-dimethoxyphenyl)methylamino]-2-methylpropyl]-2-(oxan-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98132530
4-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 92732438
1-[(2,3-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)pyrrolidine
CID 20895888
1-[(2,3-dimethoxyphenyl)methyl]-2-(1-methylpyrazol-3-yl)azepane
CID 46952896
5-ethyl-2-[(2S)-1-[(1R,3S)-3-methoxycyclohexanecarbonyl]pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98061971
5-ethyl-2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110216075
5-ethyl-2-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214826
(8aR,11aS)-1-[(2,3-dimethoxyphenyl)methyl]-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
CID 110201577
2-[1-[3-(3-ethoxy-1,2-oxazol-5-yl)propanoyl]piperidin-2-yl]-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110216072

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110215997) is 2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1cc(=O)n2[nH]c(C3CCCCN3Cc3cccc(OC)c3OC)cc2n1.
What is the InChIKey of 2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is RBNONPBRUXABBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-4-16-12-21(27)26-20(23-16)13-17(24-26)18-9-5-6-11-25(18)14-15-8-7-10-19(28-2)22(15)29-3/h7-8,10,12-13,18,24H,4-6,9,11,14H2,1-3H3.
What are the key properties of 2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 396.49 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110215997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).