4-[2-[3-(dimethylamino)propyl]-6-(2-methoxyphenyl)indazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid

C25H30N4O3 — CID 175057264

IUPAC4-[2-[3-(dimethylamino)propyl]-6-(2-methoxyphenyl)indazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCOc1ccccc1-c1ccc2c(C3=CCN(C(=O)O)CC3)n(CCCN(C)C)nc2c1
InChIInChI=1S/C25H30N4O3/c1-27(2)13-6-14-29-24(18-11-15-28(16-12-18)25(30)31)21-10-9-19(17-22(21)26-29)20-7-4-5-8-23(20)32-3/h4-5,7-11,17H,6,12-16H2,1-3H3,(H,30,31)
InChIKeyGUDPIANQLDLBOB-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.43
Rot. Bonds7

About 4-[2-[3-(dimethylamino)propyl]-6-(2-methoxyphenyl)indazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid

4-[2-[3-(dimethylamino)propyl]-6-(2-methoxyphenyl)indazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 175057264) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 4-[2-[3-(dimethylamino)propyl]-6-(2-methoxyphenyl)indazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-[3-(dimethylamino)propyl]-6-(2-methoxyphenyl)indazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID175057264
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name4-[2-[3-(dimethylamino)propyl]-6-(2-methoxyphenyl)indazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCOc1ccccc1-c1ccc2c(C3=CCN(C(=O)O)CC3)n(CCCN(C)C)nc2c1
InChIInChI=1S/C25H30N4O3/c1-27(2)13-6-14-29-24(18-11-15-28(16-12-18)25(30)31)21-10-9-19(17-22(21)26-29)20-7-4-5-8-23(20)32-3/h4-5,7-11,17H,6,12-16H2,1-3H3,(H,30,31)
InChIKeyGUDPIANQLDLBOB-UHFFFAOYSA-N
XLogP4.43
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(dimethylamino)propyl]-6-(2-methoxyphenyl)indazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 4-[2-[3-(dimethylamino)propyl]-6-(2-methoxyphenyl)indazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 175057264) is 4-[2-[3-(dimethylamino)propyl]-6-(2-methoxyphenyl)indazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 4-[2-[3-(dimethylamino)propyl]-6-(2-methoxyphenyl)indazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 4-[2-[3-(dimethylamino)propyl]-6-(2-methoxyphenyl)indazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid is COc1ccccc1-c1ccc2c(C3=CCN(C(=O)O)CC3)n(CCCN(C)C)nc2c1.
What is the InChIKey of 4-[2-[3-(dimethylamino)propyl]-6-(2-methoxyphenyl)indazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is GUDPIANQLDLBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-27(2)13-6-14-29-24(18-11-15-28(16-12-18)25(30)31)21-10-9-19(17-22(21)26-29)20-7-4-5-8-23(20)32-3/h4-5,7-11,17H,6,12-16H2,1-3H3,(H,30,31).
What are the key properties of 4-[2-[3-(dimethylamino)propyl]-6-(2-methoxyphenyl)indazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
4-[2-[3-(dimethylamino)propyl]-6-(2-methoxyphenyl)indazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 434.54 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(dimethylamino)propyl]-6-(2-methoxyphenyl)indazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 175057264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).