5-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid

C22H20N6O2 — CID 146042189

IUPAC5-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1CN(Cc1cn(-c3ccccc3)nc1-c1ccncc1)CC2
InChIInChI=1S/C22H20N6O2/c29-22(30)21-18-14-27(11-8-19(18)24-25-21)12-16-13-28(17-4-2-1-3-5-17)26-20(16)15-6-9-23-10-7-15/h1-7,9-10,13H,8,11-12,14H2,(H,24,25)(H,29,30)
InChIKeyJPWKNQILMJAUCG-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.91
Rot. Bonds5

About 5-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid

5-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 146042189) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 5-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID146042189
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name5-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1CN(Cc1cn(-c3ccccc3)nc1-c1ccncc1)CC2
InChIInChI=1S/C22H20N6O2/c29-22(30)21-18-14-27(11-8-19(18)24-25-21)12-16-13-28(17-4-2-1-3-5-17)26-20(16)15-6-9-23-10-7-15/h1-7,9-10,13H,8,11-12,14H2,(H,24,25)(H,29,30)
InChIKeyJPWKNQILMJAUCG-UHFFFAOYSA-N
XLogP2.91
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944266
4-[(1,3-diphenylpyrazol-4-yl)methyl]-N-ethylpiperazine-1-carboxamide
CID 78818653
N,N-dimethyl-5-(pyridin-4-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 97388926
(3aS,6aR)-2-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122045162
5-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 154565607
1-[4-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 31310608
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanecarboxamide
CID 49013807
3,3-dimethyl-1-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]piperidin-4-amine
CID 120782167
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanesulfonamide
CID 48947247
1-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(pyridin-2-ylmethyl)piperazine
CID 16576279
(3aR,7aR)-2-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 137336256
N-methyl-5-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 74238727

Frequently Asked Questions

What is the IUPAC name of 5-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 146042189) is 5-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid is O=C(O)c1n[nH]c2c1CN(Cc1cn(-c3ccccc3)nc1-c1ccncc1)CC2.
What is the InChIKey of 5-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is JPWKNQILMJAUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c29-22(30)21-18-14-27(11-8-19(18)24-25-21)12-16-13-28(17-4-2-1-3-5-17)26-20(16)15-6-9-23-10-7-15/h1-7,9-10,13H,8,11-12,14H2,(H,24,25)(H,29,30).
What are the key properties of 5-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
5-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 400.44 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 146042189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).