3-(2,5-dimethoxyphenyl)-1-methyl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]pyrazole-5-carboxamide

C24H26N8O3 — CID 122288870

IUPAC3-(2,5-dimethoxyphenyl)-1-methyl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]pyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)NCCNc3ccc(Nc4ccccn4)nn3)n(C)n2)c1
InChIInChI=1S/C24H26N8O3/c1-32-19(15-18(31-32)17-14-16(34-2)7-8-20(17)35-3)24(33)27-13-12-26-22-9-10-23(30-29-22)28-21-6-4-5-11-25-21/h4-11,14-15H,12-13H2,1-3H3,(H,26,29)(H,27,33)(H,25,28,30)
InChIKeySZWQJEJKDVVPBC-UHFFFAOYSA-N
MW474.53 g/mol
LogP2.87
Rot. Bonds10

About 3-(2,5-dimethoxyphenyl)-1-methyl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]pyrazole-5-carboxamide

3-(2,5-dimethoxyphenyl)-1-methyl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]pyrazole-5-carboxamide (PubChem CID 122288870) has the molecular formula C24H26N8O3 and a molecular weight of 474.53 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-1-methyl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-1-methyl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]pyrazole-5-carboxamide
PubChem CID122288870
Molecular FormulaC24H26N8O3
Molecular Weight474.53 g/mol
Exact Mass474.21
IUPAC Name3-(2,5-dimethoxyphenyl)-1-methyl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]pyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)NCCNc3ccc(Nc4ccccn4)nn3)n(C)n2)c1
InChIInChI=1S/C24H26N8O3/c1-32-19(15-18(31-32)17-14-16(34-2)7-8-20(17)35-3)24(33)27-13-12-26-22-9-10-23(30-29-22)28-21-6-4-5-11-25-21/h4-11,14-15H,12-13H2,1-3H3,(H,26,29)(H,27,33)(H,25,28,30)
InChIKeySZWQJEJKDVVPBC-UHFFFAOYSA-N
XLogP2.87
TPSA128.11 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.53
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

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CID 122315086
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3-(2,5-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazole-5-carboxamide
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3-(2,5-dimethoxyphenyl)-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-methylpyrazole-5-carboxamide
CID 121120921
3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyrazole-5-carboxamide
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3-(2,5-dimethoxyphenyl)-1-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]pyrazole-5-carboxamide
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N-(1H-benzimidazol-2-ylmethyl)-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
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7-methoxy-N-[2-(pyridin-2-ylamino)ethyl]cinnoline-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-1-methyl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]pyrazole-5-carboxamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-1-methyl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]pyrazole-5-carboxamide (CID 122288870) is 3-(2,5-dimethoxyphenyl)-1-methyl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-1-methyl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-1-methyl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]pyrazole-5-carboxamide is COc1ccc(OC)c(-c2cc(C(=O)NCCNc3ccc(Nc4ccccn4)nn3)n(C)n2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-1-methyl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]pyrazole-5-carboxamide?
The InChIKey is SZWQJEJKDVVPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O3/c1-32-19(15-18(31-32)17-14-16(34-2)7-8-20(17)35-3)24(33)27-13-12-26-22-9-10-23(30-29-22)28-21-6-4-5-11-25-21/h4-11,14-15H,12-13H2,1-3H3,(H,26,29)(H,27,33)(H,25,28,30).
What are the key properties of 3-(2,5-dimethoxyphenyl)-1-methyl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]pyrazole-5-carboxamide?
3-(2,5-dimethoxyphenyl)-1-methyl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]pyrazole-5-carboxamide has a molecular weight of 474.53 g/mol, XLogP of 2.87, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-1-methyl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 122288870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).