2-amino-2-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetic acid

C20H17N5O2 — CID 118664131

IUPAC2-amino-2-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetic acid
SMILESCc1cccc(-n2ncc3ccc(-c4cccc(C(N)C(=O)O)n4)cc32)n1
InChIInChI=1S/C20H17N5O2/c1-12-4-2-7-18(23-12)25-17-10-13(8-9-14(17)11-22-25)15-5-3-6-16(24-15)19(21)20(26)27/h2-11,19H,21H2,1H3,(H,26,27)
InChIKeyHSQLEIYCPNWKMC-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.88
Rot. Bonds4

About 2-amino-2-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetic acid

2-amino-2-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetic acid (PubChem CID 118664131) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-amino-2-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetic acid
PubChem CID118664131
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name2-amino-2-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetic acid
SMILESCc1cccc(-n2ncc3ccc(-c4cccc(C(N)C(=O)O)n4)cc32)n1
InChIInChI=1S/C20H17N5O2/c1-12-4-2-7-18(23-12)25-17-10-13(8-9-14(17)11-22-25)15-5-3-6-16(24-15)19(21)20(26)27/h2-11,19H,21H2,1H3,(H,26,27)
InChIKeyHSQLEIYCPNWKMC-UHFFFAOYSA-N
XLogP2.88
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetic acid?
The IUPAC name of 2-amino-2-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetic acid (CID 118664131) is 2-amino-2-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-amino-2-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-amino-2-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetic acid is Cc1cccc(-n2ncc3ccc(-c4cccc(C(N)C(=O)O)n4)cc32)n1.
What is the InChIKey of 2-amino-2-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetic acid?
The InChIKey is HSQLEIYCPNWKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-12-4-2-7-18(23-12)25-17-10-13(8-9-14(17)11-22-25)15-5-3-6-16(24-15)19(21)20(26)27/h2-11,19H,21H2,1H3,(H,26,27).
What are the key properties of 2-amino-2-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetic acid?
2-amino-2-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetic acid has a molecular weight of 359.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetic acid is sourced from PubChem (CID 118664131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).