1,3-benzodioxol-5-yl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone

C18H17N5O3 — CID 134800634

IUPAC1,3-benzodioxol-5-yl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCN(c2ccnc3ccnn23)CC1
InChIInChI=1S/C18H17N5O3/c24-18(13-1-2-14-15(11-13)26-12-25-14)22-9-7-21(8-10-22)17-4-5-19-16-3-6-20-23(16)17/h1-6,11H,7-10,12H2
InChIKeyFUGVIXOKMSIUOR-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.42
Rot. Bonds2

About 1,3-benzodioxol-5-yl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone

1,3-benzodioxol-5-yl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone (PubChem CID 134800634) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone
PubChem CID134800634
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name1,3-benzodioxol-5-yl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCN(c2ccnc3ccnn23)CC1
InChIInChI=1S/C18H17N5O3/c24-18(13-1-2-14-15(11-13)26-12-25-14)22-9-7-21(8-10-22)17-4-5-19-16-3-6-20-23(16)17/h1-6,11H,7-10,12H2
InChIKeyFUGVIXOKMSIUOR-UHFFFAOYSA-N
XLogP1.42
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-benzodioxol-5-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 31565610
(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 134797609
1,3-benzodioxol-5-yl-(4-phenylpiperazin-1-yl)methanone
CID 660185
1,3-benzodioxol-5-yl-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 36723255
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 27647571
1,3-benzodioxol-5-yl-(4-ethylpiperazin-1-yl)methanone
CID 798684
1,3-benzodioxol-5-yl-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816082
1,3-benzodioxol-5-yl-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 70704069
5-[4-(1,3-benzodioxole-5-carbonyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120690241
1,3-benzodioxol-5-yl-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]methanone
CID 108537024
1,3-benzodioxol-5-yl-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]methanone
CID 126851136
1,3-benzodioxol-5-yl-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808446

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone (CID 134800634) is 1,3-benzodioxol-5-yl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone is O=C(c1ccc2c(c1)OCO2)N1CCN(c2ccnc3ccnn23)CC1.
What is the InChIKey of 1,3-benzodioxol-5-yl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone?
The InChIKey is FUGVIXOKMSIUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c24-18(13-1-2-14-15(11-13)26-12-25-14)22-9-7-21(8-10-22)17-4-5-19-16-3-6-20-23(16)17/h1-6,11H,7-10,12H2.
What are the key properties of 1,3-benzodioxol-5-yl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone?
1,3-benzodioxol-5-yl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone has a molecular weight of 351.37 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 134800634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).