2-[1-[[5-(naphthalene-2-carbonylamino)pyrazin-2-yl]methyl]indazol-3-yl]acetic acid

C25H19N5O3 — CID 71571940

IUPAC2-[1-[[5-(naphthalene-2-carbonylamino)pyrazin-2-yl]methyl]indazol-3-yl]acetic acid
SMILESO=C(O)Cc1nn(Cc2cnc(NC(=O)c3ccc4ccccc4c3)cn2)c2ccccc12
InChIInChI=1S/C25H19N5O3/c31-24(32)12-21-20-7-3-4-8-22(20)30(29-21)15-19-13-27-23(14-26-19)28-25(33)18-10-9-16-5-1-2-6-17(16)11-18/h1-11,13-14H,12,15H2,(H,31,32)(H,27,28,33)
InChIKeyKZTFXGYJLIJYGM-UHFFFAOYSA-N
MW437.46 g/mol
LogP3.91
Rot. Bonds6

About 2-[1-[[5-(naphthalene-2-carbonylamino)pyrazin-2-yl]methyl]indazol-3-yl]acetic acid

2-[1-[[5-(naphthalene-2-carbonylamino)pyrazin-2-yl]methyl]indazol-3-yl]acetic acid (PubChem CID 71571940) has the molecular formula C25H19N5O3 and a molecular weight of 437.46 g/mol. Its IUPAC name is 2-[1-[[5-(naphthalene-2-carbonylamino)pyrazin-2-yl]methyl]indazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[[5-(naphthalene-2-carbonylamino)pyrazin-2-yl]methyl]indazol-3-yl]acetic acid
PubChem CID71571940
Molecular FormulaC25H19N5O3
Molecular Weight437.46 g/mol
Exact Mass437.15
IUPAC Name2-[1-[[5-(naphthalene-2-carbonylamino)pyrazin-2-yl]methyl]indazol-3-yl]acetic acid
SMILESO=C(O)Cc1nn(Cc2cnc(NC(=O)c3ccc4ccccc4c3)cn2)c2ccccc12
InChIInChI=1S/C25H19N5O3/c31-24(32)12-21-20-7-3-4-8-22(20)30(29-21)15-19-13-27-23(14-26-19)28-25(33)18-10-9-16-5-1-2-6-17(16)11-18/h1-11,13-14H,12,15H2,(H,31,32)(H,27,28,33)
InChIKeyKZTFXGYJLIJYGM-UHFFFAOYSA-N
XLogP3.91
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-(naphthalene-2-carbonylamino)pyrazin-2-yl]methyl]indazol-3-yl]acetic acid?
The IUPAC name of 2-[1-[[5-(naphthalene-2-carbonylamino)pyrazin-2-yl]methyl]indazol-3-yl]acetic acid (CID 71571940) is 2-[1-[[5-(naphthalene-2-carbonylamino)pyrazin-2-yl]methyl]indazol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[[5-(naphthalene-2-carbonylamino)pyrazin-2-yl]methyl]indazol-3-yl]acetic acid?
The canonical SMILES for 2-[1-[[5-(naphthalene-2-carbonylamino)pyrazin-2-yl]methyl]indazol-3-yl]acetic acid is O=C(O)Cc1nn(Cc2cnc(NC(=O)c3ccc4ccccc4c3)cn2)c2ccccc12.
What is the InChIKey of 2-[1-[[5-(naphthalene-2-carbonylamino)pyrazin-2-yl]methyl]indazol-3-yl]acetic acid?
The InChIKey is KZTFXGYJLIJYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O3/c31-24(32)12-21-20-7-3-4-8-22(20)30(29-21)15-19-13-27-23(14-26-19)28-25(33)18-10-9-16-5-1-2-6-17(16)11-18/h1-11,13-14H,12,15H2,(H,31,32)(H,27,28,33).
What are the key properties of 2-[1-[[5-(naphthalene-2-carbonylamino)pyrazin-2-yl]methyl]indazol-3-yl]acetic acid?
2-[1-[[5-(naphthalene-2-carbonylamino)pyrazin-2-yl]methyl]indazol-3-yl]acetic acid has a molecular weight of 437.46 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-(naphthalene-2-carbonylamino)pyrazin-2-yl]methyl]indazol-3-yl]acetic acid is sourced from PubChem (CID 71571940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).