N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-[(3-methyl-2-pyridinyl)oxy]benzamide

C19H16N6O3 — CID 167887464

IUPACN-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-[(3-methyl-2-pyridinyl)oxy]benzamide
SMILESCc1cccnc1Oc1ccc(C(=O)Nc2nc3c(cnn3C)c(=O)[nH]2)cc1
InChIInChI=1S/C19H16N6O3/c1-11-4-3-9-20-18(11)28-13-7-5-12(6-8-13)16(26)23-19-22-15-14(17(27)24-19)10-21-25(15)2/h3-10H,1-2H3,(H2,22,23,24,26,27)
InChIKeyKWMFRXBTPMJPJO-UHFFFAOYSA-N
MW376.38 g/mol
LogP2.40
Rot. Bonds4

About N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-[(3-methyl-2-pyridinyl)oxy]benzamide

N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-[(3-methyl-2-pyridinyl)oxy]benzamide (PubChem CID 167887464) has the molecular formula C19H16N6O3 and a molecular weight of 376.38 g/mol. Its IUPAC name is N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-[(3-methyl-2-pyridinyl)oxy]benzamide.

Molecular Properties

Compound NameN-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-[(3-methyl-2-pyridinyl)oxy]benzamide
PubChem CID167887464
Molecular FormulaC19H16N6O3
Molecular Weight376.38 g/mol
Exact Mass376.13
IUPAC NameN-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-[(3-methyl-2-pyridinyl)oxy]benzamide
SMILESCc1cccnc1Oc1ccc(C(=O)Nc2nc3c(cnn3C)c(=O)[nH]2)cc1
InChIInChI=1S/C19H16N6O3/c1-11-4-3-9-20-18(11)28-13-7-5-12(6-8-13)16(26)23-19-22-15-14(17(27)24-19)10-21-25(15)2/h3-10H,1-2H3,(H2,22,23,24,26,27)
InChIKeyKWMFRXBTPMJPJO-UHFFFAOYSA-N
XLogP2.40
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-[(3-methyl-2-pyridinyl)oxy]benzamide?
The IUPAC name of N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-[(3-methyl-2-pyridinyl)oxy]benzamide (CID 167887464) is N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-[(3-methyl-2-pyridinyl)oxy]benzamide.
What is the SMILES notation for N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-[(3-methyl-2-pyridinyl)oxy]benzamide?
The canonical SMILES for N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-[(3-methyl-2-pyridinyl)oxy]benzamide is Cc1cccnc1Oc1ccc(C(=O)Nc2nc3c(cnn3C)c(=O)[nH]2)cc1.
What is the InChIKey of N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-[(3-methyl-2-pyridinyl)oxy]benzamide?
The InChIKey is KWMFRXBTPMJPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O3/c1-11-4-3-9-20-18(11)28-13-7-5-12(6-8-13)16(26)23-19-22-15-14(17(27)24-19)10-21-25(15)2/h3-10H,1-2H3,(H2,22,23,24,26,27).
What are the key properties of N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-[(3-methyl-2-pyridinyl)oxy]benzamide?
N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-[(3-methyl-2-pyridinyl)oxy]benzamide has a molecular weight of 376.38 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-[(3-methyl-2-pyridinyl)oxy]benzamide is sourced from PubChem (CID 167887464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).