5-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide

C25H26N6O3 — CID 172760657

IUPAC5-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide
SMILESCOCCOCCn1cc(-c2ccc(C(N)=O)nc2-c2cncc(C)c2)c(-c2ccccn2)n1
InChIInChI=1S/C25H26N6O3/c1-17-13-18(15-27-14-17)23-19(6-7-22(29-23)25(26)32)20-16-31(9-10-34-12-11-33-2)30-24(20)21-5-3-4-8-28-21/h3-8,13-16H,9-12H2,1-2H3,(H2,26,32)
InChIKeyLQGUGVUGAHHHCL-UHFFFAOYSA-N
MW458.52 g/mol
LogP3.14
Rot. Bonds10

About 5-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide

5-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide (PubChem CID 172760657) has the molecular formula C25H26N6O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is 5-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide
PubChem CID172760657
Molecular FormulaC25H26N6O3
Molecular Weight458.52 g/mol
Exact Mass458.21
IUPAC Name5-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide
SMILESCOCCOCCn1cc(-c2ccc(C(N)=O)nc2-c2cncc(C)c2)c(-c2ccccn2)n1
InChIInChI=1S/C25H26N6O3/c1-17-13-18(15-27-14-17)23-19(6-7-22(29-23)25(26)32)20-16-31(9-10-34-12-11-33-2)30-24(20)21-5-3-4-8-28-21/h3-8,13-16H,9-12H2,1-2H3,(H2,26,32)
InChIKeyLQGUGVUGAHHHCL-UHFFFAOYSA-N
XLogP3.14
TPSA118.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide
CID 175790512
6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 160857788
6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide
CID 134450325
5-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine-2-carboxamide
CID 175790457
N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 134450331
6-(1H-indazol-5-ylamino)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide
CID 134452871
2-[1-(2-methoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-1-[2-(1H-pyrazol-4-yl)-1,3-thiazol-4-yl]ethanone
CID 135251791
formic acid;N-[1-[2-(2-methoxyethoxy)ethyl]-5-[1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]-3-pyridin-2-ylpyrazol-4-yl]furan-2-carboxamide
CID 175188659
N-[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122638562
N-[1-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-methyl-2H-pyridin-6-yl]-1H-indazol-5-amine
CID 154022437
formic acid;bis(N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(5-methyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide);N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;bis([4-[4-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl hydrogen phosphate)
CID 158241921
N-[1-methyl-3-[5-[[4-[[6-(3-methylphenyl)pyridine-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]methyl]-2-pyridinyl]pyrazol-4-yl]-6-phenylpyridine-2-carboxamide
CID 134453104

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of 5-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide (CID 172760657) is 5-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide is COCCOCCn1cc(-c2ccc(C(N)=O)nc2-c2cncc(C)c2)c(-c2ccccn2)n1.
What is the InChIKey of 5-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide?
The InChIKey is LQGUGVUGAHHHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3/c1-17-13-18(15-27-14-17)23-19(6-7-22(29-23)25(26)32)20-16-31(9-10-34-12-11-33-2)30-24(20)21-5-3-4-8-28-21/h3-8,13-16H,9-12H2,1-2H3,(H2,26,32).
What are the key properties of 5-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide?
5-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide has a molecular weight of 458.52 g/mol, XLogP of 3.14, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 172760657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).