5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione

C19H14N4O4 — CID 70925414

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione
SMILESO=c1[nH]n2c(=O)cc(-c3ccc4c(c3)OCCO4)[nH]c2c1-c1cccnc1
InChIInChI=1S/C19H14N4O4/c24-16-9-13(11-3-4-14-15(8-11)27-7-6-26-14)21-18-17(19(25)22-23(16)18)12-2-1-5-20-10-12/h1-5,8-10,21H,6-7H2,(H,22,25)
InChIKeyPWKCRLBVLMHINK-UHFFFAOYSA-N
MW362.35 g/mol
LogP1.82
Rot. Bonds2

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione (PubChem CID 70925414) has the molecular formula C19H14N4O4 and a molecular weight of 362.35 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione
PubChem CID70925414
Molecular FormulaC19H14N4O4
Molecular Weight362.35 g/mol
Exact Mass362.10
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione
SMILESO=c1[nH]n2c(=O)cc(-c3ccc4c(c3)OCCO4)[nH]c2c1-c1cccnc1
InChIInChI=1S/C19H14N4O4/c24-16-9-13(11-3-4-14-15(8-11)27-7-6-26-14)21-18-17(19(25)22-23(16)18)12-2-1-5-20-10-12/h1-5,8-10,21H,6-7H2,(H,22,25)
InChIKeyPWKCRLBVLMHINK-UHFFFAOYSA-N
XLogP1.82
TPSA101.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione (CID 70925414) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione is O=c1[nH]n2c(=O)cc(-c3ccc4c(c3)OCCO4)[nH]c2c1-c1cccnc1.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione?
The InChIKey is PWKCRLBVLMHINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O4/c24-16-9-13(11-3-4-14-15(8-11)27-7-6-26-14)21-18-17(19(25)22-23(16)18)12-2-1-5-20-10-12/h1-5,8-10,21H,6-7H2,(H,22,25).
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione has a molecular weight of 362.35 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione is sourced from PubChem (CID 70925414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).