N-[5-(1,3-benzodioxol-5-yl)-7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-2-yl]acetamide

C20H15N5O4 — CID 70925402

IUPACN-[5-(1,3-benzodioxol-5-yl)-7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1[nH]n2c(=O)cc(-c3ccc4c(c3)OCO4)nc2c1-c1ccccn1
InChIInChI=1S/C20H15N5O4/c1-11(26)22-19-18(13-4-2-3-7-21-13)20-23-14(9-17(27)25(20)24-19)12-5-6-15-16(8-12)29-10-28-15/h2-9,24H,10H2,1H3,(H,22,26)
InChIKeyJOVUKADRCFCMCQ-UHFFFAOYSA-N
MW389.37 g/mol
LogP2.44
Rot. Bonds3

About N-[5-(1,3-benzodioxol-5-yl)-7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-2-yl]acetamide

N-[5-(1,3-benzodioxol-5-yl)-7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-2-yl]acetamide (PubChem CID 70925402) has the molecular formula C20H15N5O4 and a molecular weight of 389.37 g/mol. Its IUPAC name is N-[5-(1,3-benzodioxol-5-yl)-7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(1,3-benzodioxol-5-yl)-7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-2-yl]acetamide
PubChem CID70925402
Molecular FormulaC20H15N5O4
Molecular Weight389.37 g/mol
Exact Mass389.11
IUPAC NameN-[5-(1,3-benzodioxol-5-yl)-7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1[nH]n2c(=O)cc(-c3ccc4c(c3)OCO4)nc2c1-c1ccccn1
InChIInChI=1S/C20H15N5O4/c1-11(26)22-19-18(13-4-2-3-7-21-13)20-23-14(9-17(27)25(20)24-19)12-5-6-15-16(8-12)29-10-28-15/h2-9,24H,10H2,1H3,(H,22,26)
InChIKeyJOVUKADRCFCMCQ-UHFFFAOYSA-N
XLogP2.44
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzodioxol-5-yl)-7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-2-yl]acetamide?
The IUPAC name of N-[5-(1,3-benzodioxol-5-yl)-7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-2-yl]acetamide (CID 70925402) is N-[5-(1,3-benzodioxol-5-yl)-7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[5-(1,3-benzodioxol-5-yl)-7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[5-(1,3-benzodioxol-5-yl)-7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-2-yl]acetamide is CC(=O)Nc1[nH]n2c(=O)cc(-c3ccc4c(c3)OCO4)nc2c1-c1ccccn1.
What is the InChIKey of N-[5-(1,3-benzodioxol-5-yl)-7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-2-yl]acetamide?
The InChIKey is JOVUKADRCFCMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O4/c1-11(26)22-19-18(13-4-2-3-7-21-13)20-23-14(9-17(27)25(20)24-19)12-5-6-15-16(8-12)29-10-28-15/h2-9,24H,10H2,1H3,(H,22,26).
What are the key properties of N-[5-(1,3-benzodioxol-5-yl)-7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-2-yl]acetamide?
N-[5-(1,3-benzodioxol-5-yl)-7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-2-yl]acetamide has a molecular weight of 389.37 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzodioxol-5-yl)-7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-2-yl]acetamide is sourced from PubChem (CID 70925402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).