5-(2-methoxyethyl)-N-(6-methyl-2-pyridinyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide

C22H21N5O3 — CID 18570491

IUPAC5-(2-methoxyethyl)-N-(6-methyl-2-pyridinyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCOCCn1cc(C(=O)Nc2cccc(C)n2)c2nn(-c3ccccc3)c(=O)c-2c1
InChIInChI=1S/C22H21N5O3/c1-15-7-6-10-19(23-15)24-21(28)17-13-26(11-12-30-2)14-18-20(17)25-27(22(18)29)16-8-4-3-5-9-16/h3-10,13-14H,11-12H2,1-2H3,(H,23,24,28)
InChIKeyWGADQJKFTWEWSS-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.74
Rot. Bonds6

About 5-(2-methoxyethyl)-N-(6-methyl-2-pyridinyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide

5-(2-methoxyethyl)-N-(6-methyl-2-pyridinyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 18570491) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-N-(6-methyl-2-pyridinyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-(2-methoxyethyl)-N-(6-methyl-2-pyridinyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
PubChem CID18570491
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Name5-(2-methoxyethyl)-N-(6-methyl-2-pyridinyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCOCCn1cc(C(=O)Nc2cccc(C)n2)c2nn(-c3ccccc3)c(=O)c-2c1
InChIInChI=1S/C22H21N5O3/c1-15-7-6-10-19(23-15)24-21(28)17-13-26(11-12-30-2)14-18-20(17)25-27(22(18)29)16-8-4-3-5-9-16/h3-10,13-14H,11-12H2,1-2H3,(H,23,24,28)
InChIKeyWGADQJKFTWEWSS-UHFFFAOYSA-N
XLogP2.74
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyl)-N-(6-methyl-2-pyridinyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
The IUPAC name of 5-(2-methoxyethyl)-N-(6-methyl-2-pyridinyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide (CID 18570491) is 5-(2-methoxyethyl)-N-(6-methyl-2-pyridinyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide.
What is the SMILES notation for 5-(2-methoxyethyl)-N-(6-methyl-2-pyridinyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
The canonical SMILES for 5-(2-methoxyethyl)-N-(6-methyl-2-pyridinyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide is COCCn1cc(C(=O)Nc2cccc(C)n2)c2nn(-c3ccccc3)c(=O)c-2c1.
What is the InChIKey of 5-(2-methoxyethyl)-N-(6-methyl-2-pyridinyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
The InChIKey is WGADQJKFTWEWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-15-7-6-10-19(23-15)24-21(28)17-13-26(11-12-30-2)14-18-20(17)25-27(22(18)29)16-8-4-3-5-9-16/h3-10,13-14H,11-12H2,1-2H3,(H,23,24,28).
What are the key properties of 5-(2-methoxyethyl)-N-(6-methyl-2-pyridinyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
5-(2-methoxyethyl)-N-(6-methyl-2-pyridinyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyl)-N-(6-methyl-2-pyridinyl)-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 18570491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).