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

C19H15N5O3 — CID 70925528

IUPAC2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESNc1[nH]n2c(=O)cc(-c3ccc4c(c3)OCCO4)nc2c1-c1ccccn1
InChIInChI=1S/C19H15N5O3/c20-18-17(12-3-1-2-6-21-12)19-22-13(10-16(25)24(19)23-18)11-4-5-14-15(9-11)27-8-7-26-14/h1-6,9-10,23H,7-8,20H2
InChIKeyGERGXVSRRPKKNB-UHFFFAOYSA-N
MW361.36 g/mol
LogP2.11
Rot. Bonds2

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

2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 70925528) has the molecular formula C19H15N5O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is 2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID70925528
Molecular FormulaC19H15N5O3
Molecular Weight361.36 g/mol
Exact Mass361.12
IUPAC Name2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESNc1[nH]n2c(=O)cc(-c3ccc4c(c3)OCCO4)nc2c1-c1ccccn1
InChIInChI=1S/C19H15N5O3/c20-18-17(12-3-1-2-6-21-12)19-22-13(10-16(25)24(19)23-18)11-4-5-14-15(9-11)27-8-7-26-14/h1-6,9-10,23H,7-8,20H2
InChIKeyGERGXVSRRPKKNB-UHFFFAOYSA-N
XLogP2.11
TPSA107.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(3,4-Dimethoxyphenyl)-4-(pyridin-4-yldiazenyl)-1,2-dihydropyrazol-3-one
CID 135976656
US11191765, Example 28
CID 74221891
US11191765, Example 29
CID 118389290
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925351
5-(1,3-benzodioxol-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925355
5-(1,3-benzodioxol-5-yl)-3-(3-fluoro-2-pyridinyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925357
5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925365
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
3-(6-methoxy-3-pyridinyl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925399
N-[5-(1,3-benzodioxol-5-yl)-7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-2-yl]acetamide
CID 70925402
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
5-(1,3-benzodioxol-5-yl)-3-(pyridin-2-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925430

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 70925528) is 2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Nc1[nH]n2c(=O)cc(-c3ccc4c(c3)OCCO4)nc2c1-c1ccccn1.
What is the InChIKey of 2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GERGXVSRRPKKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3/c20-18-17(12-3-1-2-6-21-12)19-22-13(10-16(25)24(19)23-18)11-4-5-14-15(9-11)27-8-7-26-14/h1-6,9-10,23H,7-8,20H2.
What are the key properties of 2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 361.36 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 70925528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).