5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C23H21N5O4 — CID 70925396

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccc3c(c2)OCCO3)nc2c(-c3ccc(N4CCOCC4)nc3)c[nH]n12
InChIInChI=1S/C23H21N5O4/c29-22-12-18(15-1-3-19-20(11-15)32-10-9-31-19)26-23-17(14-25-28(22)23)16-2-4-21(24-13-16)27-5-7-30-8-6-27/h1-4,11-14,25H,5-10H2
InChIKeyDHPVSUNMXKDLEJ-UHFFFAOYSA-N
MW431.45 g/mol
LogP2.36
Rot. Bonds3

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 70925396) has the molecular formula C23H21N5O4 and a molecular weight of 431.45 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID70925396
Molecular FormulaC23H21N5O4
Molecular Weight431.45 g/mol
Exact Mass431.16
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccc3c(c2)OCCO3)nc2c(-c3ccc(N4CCOCC4)nc3)c[nH]n12
InChIInChI=1S/C23H21N5O4/c29-22-12-18(15-1-3-19-20(11-15)32-10-9-31-19)26-23-17(14-25-28(22)23)16-2-4-21(24-13-16)27-5-7-30-8-6-27/h1-4,11-14,25H,5-10H2
InChIKeyDHPVSUNMXKDLEJ-UHFFFAOYSA-N
XLogP2.36
TPSA93.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 70925396) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(-c2ccc3c(c2)OCCO3)nc2c(-c3ccc(N4CCOCC4)nc3)c[nH]n12.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is DHPVSUNMXKDLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4/c29-22-12-18(15-1-3-19-20(11-15)32-10-9-31-19)26-23-17(14-25-28(22)23)16-2-4-21(24-13-16)27-5-7-30-8-6-27/h1-4,11-14,25H,5-10H2.
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 431.45 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 70925396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).