2-[1-[[6-(naphthalene-2-carbonylamino)-3-pyridinyl]methyl]indazol-3-yl]acetic acid

C26H20N4O3 — CID 71571937

IUPAC2-[1-[[6-(naphthalene-2-carbonylamino)-3-pyridinyl]methyl]indazol-3-yl]acetic acid
SMILESO=C(O)Cc1nn(Cc2ccc(NC(=O)c3ccc4ccccc4c3)nc2)c2ccccc12
InChIInChI=1S/C26H20N4O3/c31-25(32)14-22-21-7-3-4-8-23(21)30(29-22)16-17-9-12-24(27-15-17)28-26(33)20-11-10-18-5-1-2-6-19(18)13-20/h1-13,15H,14,16H2,(H,31,32)(H,27,28,33)
InChIKeyXBAIMCMMMDXYBK-UHFFFAOYSA-N
MW436.47 g/mol
LogP4.51
Rot. Bonds6

About 2-[1-[[6-(naphthalene-2-carbonylamino)-3-pyridinyl]methyl]indazol-3-yl]acetic acid

2-[1-[[6-(naphthalene-2-carbonylamino)-3-pyridinyl]methyl]indazol-3-yl]acetic acid (PubChem CID 71571937) has the molecular formula C26H20N4O3 and a molecular weight of 436.47 g/mol. Its IUPAC name is 2-[1-[[6-(naphthalene-2-carbonylamino)-3-pyridinyl]methyl]indazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[[6-(naphthalene-2-carbonylamino)-3-pyridinyl]methyl]indazol-3-yl]acetic acid
PubChem CID71571937
Molecular FormulaC26H20N4O3
Molecular Weight436.47 g/mol
Exact Mass436.15
IUPAC Name2-[1-[[6-(naphthalene-2-carbonylamino)-3-pyridinyl]methyl]indazol-3-yl]acetic acid
SMILESO=C(O)Cc1nn(Cc2ccc(NC(=O)c3ccc4ccccc4c3)nc2)c2ccccc12
InChIInChI=1S/C26H20N4O3/c31-25(32)14-22-21-7-3-4-8-23(21)30(29-22)16-17-9-12-24(27-15-17)28-26(33)20-11-10-18-5-1-2-6-19(18)13-20/h1-13,15H,14,16H2,(H,31,32)(H,27,28,33)
InChIKeyXBAIMCMMMDXYBK-UHFFFAOYSA-N
XLogP4.51
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[6-(naphthalene-2-carbonylamino)-3-pyridinyl]methyl]indazol-3-yl]acetic acid?
The IUPAC name of 2-[1-[[6-(naphthalene-2-carbonylamino)-3-pyridinyl]methyl]indazol-3-yl]acetic acid (CID 71571937) is 2-[1-[[6-(naphthalene-2-carbonylamino)-3-pyridinyl]methyl]indazol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[[6-(naphthalene-2-carbonylamino)-3-pyridinyl]methyl]indazol-3-yl]acetic acid?
The canonical SMILES for 2-[1-[[6-(naphthalene-2-carbonylamino)-3-pyridinyl]methyl]indazol-3-yl]acetic acid is O=C(O)Cc1nn(Cc2ccc(NC(=O)c3ccc4ccccc4c3)nc2)c2ccccc12.
What is the InChIKey of 2-[1-[[6-(naphthalene-2-carbonylamino)-3-pyridinyl]methyl]indazol-3-yl]acetic acid?
The InChIKey is XBAIMCMMMDXYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O3/c31-25(32)14-22-21-7-3-4-8-23(21)30(29-22)16-17-9-12-24(27-15-17)28-26(33)20-11-10-18-5-1-2-6-19(18)13-20/h1-13,15H,14,16H2,(H,31,32)(H,27,28,33).
What are the key properties of 2-[1-[[6-(naphthalene-2-carbonylamino)-3-pyridinyl]methyl]indazol-3-yl]acetic acid?
2-[1-[[6-(naphthalene-2-carbonylamino)-3-pyridinyl]methyl]indazol-3-yl]acetic acid has a molecular weight of 436.47 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[6-(naphthalene-2-carbonylamino)-3-pyridinyl]methyl]indazol-3-yl]acetic acid is sourced from PubChem (CID 71571937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).