6-[1-[[4-hydroxy-1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]triazol-4-yl]pyridine-3-carboxylic acid

C19H21N7O4 — CID 146147079

IUPAC6-[1-[[4-hydroxy-1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]triazol-4-yl]pyridine-3-carboxylic acid
SMILESCn1cc(C(=O)N2CCC(O)(Cn3cc(-c4ccc(C(=O)O)cn4)nn3)CC2)cn1
InChIInChI=1S/C19H21N7O4/c1-24-10-14(9-21-24)17(27)25-6-4-19(30,5-7-25)12-26-11-16(22-23-26)15-3-2-13(8-20-15)18(28)29/h2-3,8-11,30H,4-7,12H2,1H3,(H,28,29)
InChIKeyPCHMIDPAFCCNPR-UHFFFAOYSA-N
MW411.42 g/mol
LogP0.44
Rot. Bonds5

About 6-[1-[[4-hydroxy-1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]triazol-4-yl]pyridine-3-carboxylic acid

6-[1-[[4-hydroxy-1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]triazol-4-yl]pyridine-3-carboxylic acid (PubChem CID 146147079) has the molecular formula C19H21N7O4 and a molecular weight of 411.42 g/mol. Its IUPAC name is 6-[1-[[4-hydroxy-1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]triazol-4-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[1-[[4-hydroxy-1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]triazol-4-yl]pyridine-3-carboxylic acid
PubChem CID146147079
Molecular FormulaC19H21N7O4
Molecular Weight411.42 g/mol
Exact Mass411.17
IUPAC Name6-[1-[[4-hydroxy-1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]triazol-4-yl]pyridine-3-carboxylic acid
SMILESCn1cc(C(=O)N2CCC(O)(Cn3cc(-c4ccc(C(=O)O)cn4)nn3)CC2)cn1
InChIInChI=1S/C19H21N7O4/c1-24-10-14(9-21-24)17(27)25-6-4-19(30,5-7-25)12-26-11-16(22-23-26)15-3-2-13(8-20-15)18(28)29/h2-3,8-11,30H,4-7,12H2,1H3,(H,28,29)
InChIKeyPCHMIDPAFCCNPR-UHFFFAOYSA-N
XLogP0.44
TPSA139.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[1-[[4-hydroxy-1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]triazol-4-yl]pyridine-3-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

Related Compounds

6-[1-[2,2-dimethyl-3-[(1-methylpyrazole-4-carbonyl)amino]propyl]triazol-4-yl]pyridine-3-carboxylic acid
CID 146147075
6-[1-[2-[2-[2-[2-[(1-methylpyrazole-4-carbonyl)amino]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]pyridine-3-carboxylic acid
CID 146147087
(1-ethylpyrazol-4-yl)-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]methanone
CID 155990844
[(3R)-3-[(4,4-difluoropiperidin-1-yl)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 125006220
(4-methylpiperazin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 60667533
9-(1-methylpyrazole-4-carbonyl)-3,9-diazaspiro[5.5]undecane-2,4-dione;molecular hydrogen
CID 155579337
2-methyl-2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]propanenitrile
CID 60692955
[3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 127245267
(4-benzylpiperazin-4-ium-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 9041784
[(4R)-4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone
CID 95715132
[4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone
CID 56901650
7-(4-fluorophenyl)-3-[[4-hydroxy-1-(4-methylbenzoyl)piperidin-4-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one
CID 121435240

Frequently Asked Questions

What is the IUPAC name of 6-[1-[[4-hydroxy-1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]triazol-4-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[1-[[4-hydroxy-1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]triazol-4-yl]pyridine-3-carboxylic acid (CID 146147079) is 6-[1-[[4-hydroxy-1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]triazol-4-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[1-[[4-hydroxy-1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]triazol-4-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[1-[[4-hydroxy-1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]triazol-4-yl]pyridine-3-carboxylic acid is Cn1cc(C(=O)N2CCC(O)(Cn3cc(-c4ccc(C(=O)O)cn4)nn3)CC2)cn1.
What is the InChIKey of 6-[1-[[4-hydroxy-1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]triazol-4-yl]pyridine-3-carboxylic acid?
The InChIKey is PCHMIDPAFCCNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O4/c1-24-10-14(9-21-24)17(27)25-6-4-19(30,5-7-25)12-26-11-16(22-23-26)15-3-2-13(8-20-15)18(28)29/h2-3,8-11,30H,4-7,12H2,1H3,(H,28,29).
What are the key properties of 6-[1-[[4-hydroxy-1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]triazol-4-yl]pyridine-3-carboxylic acid?
6-[1-[[4-hydroxy-1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]triazol-4-yl]pyridine-3-carboxylic acid has a molecular weight of 411.42 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[[4-hydroxy-1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]triazol-4-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 146147079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).