4-[5-[1-ethyl-3-(phenylmethoxymethyl)pyrazol-5-yl]-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylic acid

C24H24N8O3 — CID 175266676

IUPAC4-[5-[1-ethyl-3-(phenylmethoxymethyl)pyrazol-5-yl]-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylic acid
SMILESCCn1nc(COCc2ccccc2)cc1-c1nc(-c2nc(C(=O)O)cc3c2cnn3C)n(C)n1
InChIInChI=1S/C24H24N8O3/c1-4-32-20(10-16(28-32)14-35-13-15-8-6-5-7-9-15)22-27-23(31(3)29-22)21-17-12-25-30(2)19(17)11-18(26-21)24(33)34/h5-12H,4,13-14H2,1-3H3,(H,33,34)
InChIKeyQVJIZSRMAUNYDC-UHFFFAOYSA-N
MW472.51 g/mol
LogP3.06
Rot. Bonds8

About 4-[5-[1-ethyl-3-(phenylmethoxymethyl)pyrazol-5-yl]-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylic acid

4-[5-[1-ethyl-3-(phenylmethoxymethyl)pyrazol-5-yl]-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylic acid (PubChem CID 175266676) has the molecular formula C24H24N8O3 and a molecular weight of 472.51 g/mol. Its IUPAC name is 4-[5-[1-ethyl-3-(phenylmethoxymethyl)pyrazol-5-yl]-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-[5-[1-ethyl-3-(phenylmethoxymethyl)pyrazol-5-yl]-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylic acid
PubChem CID175266676
Molecular FormulaC24H24N8O3
Molecular Weight472.51 g/mol
Exact Mass472.20
IUPAC Name4-[5-[1-ethyl-3-(phenylmethoxymethyl)pyrazol-5-yl]-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylic acid
SMILESCCn1nc(COCc2ccccc2)cc1-c1nc(-c2nc(C(=O)O)cc3c2cnn3C)n(C)n1
InChIInChI=1S/C24H24N8O3/c1-4-32-20(10-16(28-32)14-35-13-15-8-6-5-7-9-15)22-27-23(31(3)29-22)21-17-12-25-30(2)19(17)11-18(26-21)24(33)34/h5-12H,4,13-14H2,1-3H3,(H,33,34)
InChIKeyQVJIZSRMAUNYDC-UHFFFAOYSA-N
XLogP3.06
TPSA125.77 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-[5-[1-ethyl-3-(phenylmethoxymethyl)pyrazol-5-yl]-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylic acid with MolForge

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Related Compounds

3-(methoxymethyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 165415010
Ethyl 5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxylate
CID 118708352
methyl 5-[(2-ethylpyrazol-3-yl)methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 70866036
3-Ethoxycarbonyl-1-(2-fluorbenzyl)-1H-pyrazolo-(3,4,5)-pyridin
CID 11162345
Ethyl 1,3-dimethyl-6-pyridin-4-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 2997652
Ethyl 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 71601939
Ethyl 5-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxylate
CID 118708353
4-(4-Morpholin-4-ylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742083
3-Cyclobutyl-4-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742549
3-Methyl-4-(6-morpholin-4-yl-3-pyridinyl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742967
Ethyl 1,3-dimethyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 3537430
ethyl 4-[3-(3-aminophenyl)-1-ethylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 57548008

Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-ethyl-3-(phenylmethoxymethyl)pyrazol-5-yl]-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylic acid?
The IUPAC name of 4-[5-[1-ethyl-3-(phenylmethoxymethyl)pyrazol-5-yl]-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylic acid (CID 175266676) is 4-[5-[1-ethyl-3-(phenylmethoxymethyl)pyrazol-5-yl]-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 4-[5-[1-ethyl-3-(phenylmethoxymethyl)pyrazol-5-yl]-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylic acid?
The canonical SMILES for 4-[5-[1-ethyl-3-(phenylmethoxymethyl)pyrazol-5-yl]-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylic acid is CCn1nc(COCc2ccccc2)cc1-c1nc(-c2nc(C(=O)O)cc3c2cnn3C)n(C)n1.
What is the InChIKey of 4-[5-[1-ethyl-3-(phenylmethoxymethyl)pyrazol-5-yl]-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylic acid?
The InChIKey is QVJIZSRMAUNYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O3/c1-4-32-20(10-16(28-32)14-35-13-15-8-6-5-7-9-15)22-27-23(31(3)29-22)21-17-12-25-30(2)19(17)11-18(26-21)24(33)34/h5-12H,4,13-14H2,1-3H3,(H,33,34).
What are the key properties of 4-[5-[1-ethyl-3-(phenylmethoxymethyl)pyrazol-5-yl]-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylic acid?
4-[5-[1-ethyl-3-(phenylmethoxymethyl)pyrazol-5-yl]-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylic acid has a molecular weight of 472.51 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[1-ethyl-3-(phenylmethoxymethyl)pyrazol-5-yl]-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 175266676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).