3-methyl-4-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid

C19H21N5O2 — CID 166721472

IUPAC3-methyl-4-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCc1cc2cnn(-c3cnn(C)c3)c2cc1C1=CCN(C(=O)O)CC1C
InChIInChI=1S/C19H21N5O2/c1-12-6-14-8-21-24(15-9-20-22(3)11-15)18(14)7-17(12)16-4-5-23(19(25)26)10-13(16)2/h4,6-9,11,13H,5,10H2,1-3H3,(H,25,26)
InChIKeyPLGQVSOHKYHUDK-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.08
Rot. Bonds2

About 3-methyl-4-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid

3-methyl-4-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 166721472) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-methyl-4-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID166721472
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name3-methyl-4-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESCc1cc2cnn(-c3cnn(C)c3)c2cc1C1=CCN(C(=O)O)CC1C
InChIInChI=1S/C19H21N5O2/c1-12-6-14-8-21-24(15-9-20-22(3)11-15)18(14)7-17(12)16-4-5-23(19(25)26)10-13(16)2/h4,6-9,11,13H,5,10H2,1-3H3,(H,25,26)
InChIKeyPLGQVSOHKYHUDK-UHFFFAOYSA-N
XLogP3.08
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-6-[(2R)-2-methylcyclohexyl]-1-(1-methylpyrazol-4-yl)indazole
CID 163644754
4-[5-methyl-1-(6-morpholin-4-ylpyrimidin-4-yl)indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 175156448
6-chloro-1-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridine
CID 169489359
1-(1-methylpyrazol-4-yl)indazole
CID 154050163
N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]-2-propan-2-ylbenzamide
CID 175755919
3-cyano-2,6-dimethyl-N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]benzamide
CID 164587242
6-cyano-2-methyl-N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]pyridine-3-carboxamide
CID 164587354
[3-benzyl-3-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 166916461
4-[5-methyl-1-[2-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrimidin-4-yl]indazol-6-yl]piperidine-1-carboxylic acid
CID 155347059
2-chloro-5-cyano-N-[1-(1-methylpyrazol-4-yl)indazol-6-yl]pyridine-3-carboxamide
CID 164587264
[7-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4,7-diazaspiro[2.5]octan-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 166916420
3-[1-(1-cyclopropylpyrazol-4-yl)-5-methylindazol-6-yl]-8-methyl-3-azabicyclo[3.2.1]octan-8-ol
CID 155381655

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 3-methyl-4-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 166721472) is 3-methyl-4-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 3-methyl-4-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 3-methyl-4-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid is Cc1cc2cnn(-c3cnn(C)c3)c2cc1C1=CCN(C(=O)O)CC1C.
What is the InChIKey of 3-methyl-4-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is PLGQVSOHKYHUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-12-6-14-8-21-24(15-9-20-22(3)11-15)18(14)7-17(12)16-4-5-23(19(25)26)10-13(16)2/h4,6-9,11,13H,5,10H2,1-3H3,(H,25,26).
What are the key properties of 3-methyl-4-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
3-methyl-4-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 351.41 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[5-methyl-1-(1-methylpyrazol-4-yl)indazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 166721472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).