7-formyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

C18H15N5O4 — CID 143588392

IUPAC7-formyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESO=Cc1cc(C(=O)NCCc2ccc3c(c2)NC(=O)CO3)nc2ccnn12
InChIInChI=1S/C18H15N5O4/c24-9-12-8-14(21-16-4-6-20-23(12)16)18(26)19-5-3-11-1-2-15-13(7-11)22-17(25)10-27-15/h1-2,4,6-9H,3,5,10H2,(H,19,26)(H,22,25)
InChIKeyHQJZRYWGZLLFPT-UHFFFAOYSA-N
MW365.35 g/mol
LogP0.85
Rot. Bonds5

About 7-formyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

7-formyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 143588392) has the molecular formula C18H15N5O4 and a molecular weight of 365.35 g/mol. Its IUPAC name is 7-formyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-formyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID143588392
Molecular FormulaC18H15N5O4
Molecular Weight365.35 g/mol
Exact Mass365.11
IUPAC Name7-formyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESO=Cc1cc(C(=O)NCCc2ccc3c(c2)NC(=O)CO3)nc2ccnn12
InChIInChI=1S/C18H15N5O4/c24-9-12-8-14(21-16-4-6-20-23(12)16)18(26)19-5-3-11-1-2-15-13(7-11)22-17(25)10-27-15/h1-2,4,6-9H,3,5,10H2,(H,19,26)(H,22,25)
InChIKeyHQJZRYWGZLLFPT-UHFFFAOYSA-N
XLogP0.85
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

7-N-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-5-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 143588165
7-carbamimidoyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 143680102
7-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 24872582
7-N-[(3-acetyl-4-fluorophenyl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59462813
5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-N-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 70309805
1,4-dimethyl-4-[[[5-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 70321755
7-N-[(4-fluorocuban-1-yl)methyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 143587613
N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyridine-3-carboxamide
CID 110789922
7-N-[(1S)-1-(4-methylphenyl)ethyl]-5-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59461132
4-(dimethylamino)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide
CID 110795832
4-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]pyrazolo[1,5-a][1,3,5]triazine-2-carboxylic acid
CID 91490046
4-methyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide
CID 110789900

Frequently Asked Questions

What is the IUPAC name of 7-formyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 7-formyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 143588392) is 7-formyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-formyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 7-formyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is O=Cc1cc(C(=O)NCCc2ccc3c(c2)NC(=O)CO3)nc2ccnn12.
What is the InChIKey of 7-formyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is HQJZRYWGZLLFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O4/c24-9-12-8-14(21-16-4-6-20-23(12)16)18(26)19-5-3-11-1-2-15-13(7-11)22-17(25)10-27-15/h1-2,4,6-9H,3,5,10H2,(H,19,26)(H,22,25).
What are the key properties of 7-formyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
7-formyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 365.35 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-formyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 143588392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).