N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1H-pyrazole

C23H21N7O3 — CID 142447593

About N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1H-pyrazole

N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1H-pyrazole (PubChem CID 142447593) has the molecular formula C23H21N7O3 and a molecular weight of 443.47 g/mol. Its IUPAC name is N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1H-pyrazole.

Molecular Properties

• Compound Name: N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1H-pyrazole
• PubChem CID: 142447593
• Molecular Formula: C23H21N7O3
• Molecular Weight: 443.47 g/mol
• Exact Mass: 443.17
• IUPAC Name: N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1H-pyrazole
• SMILES: Cc1cc2[nH]c(=O)oc2cc1-c1cc2cc(NC(=O)C3CC3)ncc2c(N)n1.c1cn[nH]c1
• InChI: InChI=1S/C20H17N5O3.C3H4N2/c1-9-4-15-16(28-20(27)24-15)7-12(9)14-5-11-6-17(25-19(26)10-2-3-10)22-8-13(11)18(21)23-14;1-2-4-5-3-1/h4-8,10H,2-3H2,1H3,(H2,21,23)(H,24,27)(H,22,25,26);1-3H,(H,4,5)
• InChIKey: XNVKOMLMSPGJAA-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 155.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.47
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1H-pyrazole?

The IUPAC name of N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1H-pyrazole (CID 142447593) is N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1H-pyrazole.

What is the SMILES notation for N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1H-pyrazole?

The canonical SMILES for N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1H-pyrazole is Cc1cc2[nH]c(=O)oc2cc1-c1cc2cc(NC(=O)C3CC3)ncc2c(N)n1.c1cn[nH]c1.

What is the InChIKey of N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1H-pyrazole?

The InChIKey is XNVKOMLMSPGJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3.C3H4N2/c1-9-4-15-16(28-20(27)24-15)7-12(9)14-5-11-6-17(25-19(26)10-2-3-10)22-8-13(11)18(21)23-14;1-2-4-5-3-1/h4-8,10H,2-3H2,1H3,(H2,21,23)(H,24,27)(H,22,25,26);1-3H,(H,4,5).

What are the key properties of N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1H-pyrazole?

N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1H-pyrazole has a molecular weight of 443.47 g/mol, XLogP of 3.38, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-amino-6-(5-methyl-2-oxo-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;1H-pyrazole is sourced from PubChem (CID 142447593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).