N-[(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1,3-benzodioxole-5-carboxamide

C20H15N5O4 — CID 98134867

IUPACN-[(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCc1cc(=O)n2[nH]c(-c3ccncc3)cc2n1)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H15N5O4/c26-19-8-14(10-22-20(27)13-1-2-16-17(7-13)29-11-28-16)23-18-9-15(24-25(18)19)12-3-5-21-6-4-12/h1-9,24H,10-11H2,(H,22,27)
InChIKeyNNOBRKDGBZQWCY-UHFFFAOYSA-N
MW389.37 g/mol
LogP1.74
Rot. Bonds4

About N-[(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1,3-benzodioxole-5-carboxamide

N-[(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 98134867) has the molecular formula C20H15N5O4 and a molecular weight of 389.37 g/mol. Its IUPAC name is N-[(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1,3-benzodioxole-5-carboxamide
PubChem CID98134867
Molecular FormulaC20H15N5O4
Molecular Weight389.37 g/mol
Exact Mass389.11
IUPAC NameN-[(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCc1cc(=O)n2[nH]c(-c3ccncc3)cc2n1)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H15N5O4/c26-19-8-14(10-22-20(27)13-1-2-16-17(7-13)29-11-28-16)23-18-9-15(24-25(18)19)12-3-5-21-6-4-12/h1-9,24H,10-11H2,(H,22,27)
InChIKeyNNOBRKDGBZQWCY-UHFFFAOYSA-N
XLogP1.74
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-fluoro-N-[2-(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]benzamide
CID 172656136
N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110285051
N-(1,3-benzodioxol-5-ylmethyl)pyridine-4-carboxamide
CID 2089022
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 47044607
2-(1,3-benzodioxol-5-yl)-N-[(1R)-1-(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)ethyl]acetamide
CID 98134860
N-[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 16820221
N-(1,3-benzodioxol-5-ylmethyl)-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 72901757
N-[[4-(aminomethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 60918410
N-(4,5,6,7-tetrahydro-1H-benzimidazol-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 113081515
N-[[4-(hydroxymethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 107231683
N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 91625618
5-methyl-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 86164563

Frequently Asked Questions

What is the IUPAC name of N-[(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1,3-benzodioxole-5-carboxamide (CID 98134867) is N-[(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1,3-benzodioxole-5-carboxamide is O=C(NCc1cc(=O)n2[nH]c(-c3ccncc3)cc2n1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is NNOBRKDGBZQWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O4/c26-19-8-14(10-22-20(27)13-1-2-16-17(7-13)29-11-28-16)23-18-9-15(24-25(18)19)12-3-5-21-6-4-12/h1-9,24H,10-11H2,(H,22,27).
What are the key properties of N-[(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1,3-benzodioxole-5-carboxamide?
N-[(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 389.37 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-oxo-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 98134867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).