6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]pyridine-2-carboxylic acid

C20H17N5O2 — CID 118664101

IUPAC6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]pyridine-2-carboxylic acid
SMILESC[C@H](N)c1cccc(-c2ccc3cnn(-c4cccc(C(=O)O)n4)c3c2)n1
InChIInChI=1S/C20H17N5O2/c1-12(21)15-4-2-5-16(23-15)13-8-9-14-11-22-25(18(14)10-13)19-7-3-6-17(24-19)20(26)27/h2-12H,21H2,1H3,(H,26,27)/t12-/m0/s1
InChIKeyWZQGLNXYMYCLPS-LBPRGKRZSA-N
MW359.39 g/mol
LogP3.20
Rot. Bonds4

About 6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]pyridine-2-carboxylic acid

6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]pyridine-2-carboxylic acid (PubChem CID 118664101) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]pyridine-2-carboxylic acid
PubChem CID118664101
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]pyridine-2-carboxylic acid
SMILESC[C@H](N)c1cccc(-c2ccc3cnn(-c4cccc(C(=O)O)n4)c3c2)n1
InChIInChI=1S/C20H17N5O2/c1-12(21)15-4-2-5-16(23-15)13-8-9-14-11-22-25(18(14)10-13)19-7-3-6-17(24-19)20(26)27/h2-12H,21H2,1H3,(H,26,27)/t12-/m0/s1
InChIKeyWZQGLNXYMYCLPS-LBPRGKRZSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]pyridine-2-carboxylic acid (CID 118664101) is 6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]pyridine-2-carboxylic acid is C[C@H](N)c1cccc(-c2ccc3cnn(-c4cccc(C(=O)O)n4)c3c2)n1.
What is the InChIKey of 6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]pyridine-2-carboxylic acid?
The InChIKey is WZQGLNXYMYCLPS-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-12(21)15-4-2-5-16(23-15)13-8-9-14-11-22-25(18(14)10-13)19-7-3-6-17(24-19)20(26)27/h2-12H,21H2,1H3,(H,26,27)/t12-/m0/s1.
What are the key properties of 6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]pyridine-2-carboxylic acid?
6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]pyridine-2-carboxylic acid has a molecular weight of 359.39 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 118664101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).