2,4-dioxo-N-(1H-pyrazol-5-yl)-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide

C15H11N5O4 — CID 23457470

IUPAC2,4-dioxo-N-(1H-pyrazol-5-yl)-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide
SMILESO=C(Nc1ccn[nH]1)c1ccc2c(c1)Cc1c([nH]c(=O)[nH]c1=O)O2
InChIInChI=1S/C15H11N5O4/c21-12(17-11-3-4-16-20-11)7-1-2-10-8(5-7)6-9-13(22)18-15(23)19-14(9)24-10/h1-5H,6H2,(H2,16,17,20,21)(H2,18,19,22,23)
InChIKeyNYVBEIWTZQJVNA-UHFFFAOYSA-N
MW325.28 g/mol
LogP0.74
Rot. Bonds2

About 2,4-dioxo-N-(1H-pyrazol-5-yl)-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide

2,4-dioxo-N-(1H-pyrazol-5-yl)-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide (PubChem CID 23457470) has the molecular formula C15H11N5O4 and a molecular weight of 325.28 g/mol. Its IUPAC name is 2,4-dioxo-N-(1H-pyrazol-5-yl)-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-N-(1H-pyrazol-5-yl)-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide
PubChem CID23457470
Molecular FormulaC15H11N5O4
Molecular Weight325.28 g/mol
Exact Mass325.08
IUPAC Name2,4-dioxo-N-(1H-pyrazol-5-yl)-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide
SMILESO=C(Nc1ccn[nH]1)c1ccc2c(c1)Cc1c([nH]c(=O)[nH]c1=O)O2
InChIInChI=1S/C15H11N5O4/c21-12(17-11-3-4-16-20-11)7-1-2-10-8(5-7)6-9-13(22)18-15(23)19-14(9)24-10/h1-5H,6H2,(H2,16,17,20,21)(H2,18,19,22,23)
InChIKeyNYVBEIWTZQJVNA-UHFFFAOYSA-N
XLogP0.74
TPSA132.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 50.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-(1H-pyrazol-5-yl)-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of 2,4-dioxo-N-(1H-pyrazol-5-yl)-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide (CID 23457470) is 2,4-dioxo-N-(1H-pyrazol-5-yl)-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 2,4-dioxo-N-(1H-pyrazol-5-yl)-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for 2,4-dioxo-N-(1H-pyrazol-5-yl)-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide is O=C(Nc1ccn[nH]1)c1ccc2c(c1)Cc1c([nH]c(=O)[nH]c1=O)O2.
What is the InChIKey of 2,4-dioxo-N-(1H-pyrazol-5-yl)-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is NYVBEIWTZQJVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O4/c21-12(17-11-3-4-16-20-11)7-1-2-10-8(5-7)6-9-13(22)18-15(23)19-14(9)24-10/h1-5H,6H2,(H2,16,17,20,21)(H2,18,19,22,23).
What are the key properties of 2,4-dioxo-N-(1H-pyrazol-5-yl)-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide?
2,4-dioxo-N-(1H-pyrazol-5-yl)-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 325.28 g/mol, XLogP of 0.74, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-(1H-pyrazol-5-yl)-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 23457470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).