4-(5-amino-1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid

C13H14N4O2 — CID 66958163

IUPAC4-(5-amino-1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESNc1ccc2[nH]nc(C3=CCN(C(=O)O)CC3)c2c1
InChIInChI=1S/C13H14N4O2/c14-9-1-2-11-10(7-9)12(16-15-11)8-3-5-17(6-4-8)13(18)19/h1-3,7H,4-6,14H2,(H,15,16)(H,18,19)
InChIKeyUXLQZCOCELQMOU-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.91
Rot. Bonds1

About 4-(5-amino-1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid

4-(5-amino-1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 66958163) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-(5-amino-1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-amino-1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID66958163
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name4-(5-amino-1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESNc1ccc2[nH]nc(C3=CCN(C(=O)O)CC3)c2c1
InChIInChI=1S/C13H14N4O2/c14-9-1-2-11-10(7-9)12(16-15-11)8-3-5-17(6-4-8)13(18)19/h1-3,7H,4-6,14H2,(H,15,16)(H,18,19)
InChIKeyUXLQZCOCELQMOU-UHFFFAOYSA-N
XLogP1.91
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(5-amino-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 66958274
(5-amino-1H-indazol-3-yl)-pyrrolidin-1-ylmethanone
CID 54944522
(5-amino-1H-indazol-3-yl)-piperidin-1-ylmethanone
CID 54944980
(5-amino-1H-indazol-3-yl)-(azepan-1-yl)methanone
CID 54944846
(5-amino-1H-indazol-3-yl)-morpholin-4-ylmethanone
CID 54944614
4-(5-amino-1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 141415793
3-(4-methylphenyl)-1H-indazol-5-amine
CID 39218240
4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 23149835
4-[3-(4-aminophenyl)imidazo[1,2-a]pyridin-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 175791904
2-[[7-[3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazol-5-yl]-4-amino-3-oxo-1H-isoindol-2-yl]methyl]prop-2-enenitrile
CID 162528408
4-(6-carbamoyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 121414958
4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 143765594

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 4-(5-amino-1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 66958163) is 4-(5-amino-1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 4-(5-amino-1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 4-(5-amino-1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid is Nc1ccc2[nH]nc(C3=CCN(C(=O)O)CC3)c2c1.
What is the InChIKey of 4-(5-amino-1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is UXLQZCOCELQMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c14-9-1-2-11-10(7-9)12(16-15-11)8-3-5-17(6-4-8)13(18)19/h1-3,7H,4-6,14H2,(H,15,16)(H,18,19).
What are the key properties of 4-(5-amino-1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
4-(5-amino-1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 1.91, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 66958163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).