2-(3,5-dimethylpyrazol-1-yl)-N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide

C26H32N4O4 — CID 45173757

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCOc1ccc(CN(Cc2cccnc2)C(=O)Cn2nc(C)cc2C)cc1OCC1CCOC1
InChIInChI=1S/C26H32N4O4/c1-19-11-20(2)30(28-19)16-26(31)29(15-22-5-4-9-27-13-22)14-21-6-7-24(32-3)25(12-21)34-18-23-8-10-33-17-23/h4-7,9,11-13,23H,8,10,14-18H2,1-3H3
InChIKeyCAJSIAPESIHHCF-UHFFFAOYSA-N
MW464.57 g/mol
LogP3.55
Rot. Bonds10

About 2-(3,5-dimethylpyrazol-1-yl)-N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 45173757) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID45173757
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCOc1ccc(CN(Cc2cccnc2)C(=O)Cn2nc(C)cc2C)cc1OCC1CCOC1
InChIInChI=1S/C26H32N4O4/c1-19-11-20(2)30(28-19)16-26(31)29(15-22-5-4-9-27-13-22)14-21-6-7-24(32-3)25(12-21)34-18-23-8-10-33-17-23/h4-7,9,11-13,23H,8,10,14-18H2,1-3H3
InChIKeyCAJSIAPESIHHCF-UHFFFAOYSA-N
XLogP3.55
TPSA78.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-methoxy-3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-3-ylmethyl)pent-4-enamide
CID 42435212
N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)pent-4-enamide
CID 45174309
N-[[4-methoxy-3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 26333291
2,5-dimethoxy-N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 118755483
N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 45225911
1-[3-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]-4-methoxyphenyl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 172674047
N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide
CID 42481284
N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 45233393
N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)-2-thiophen-3-ylacetamide
CID 26340017
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[[3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)acetamide
CID 45175320
N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-5-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 45234882
N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-4-morpholin-4-yl-N-(pyridin-3-ylmethyl)benzamide
CID 42277852

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide (CID 45173757) is 2-(3,5-dimethylpyrazol-1-yl)-N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide is COc1ccc(CN(Cc2cccnc2)C(=O)Cn2nc(C)cc2C)cc1OCC1CCOC1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is CAJSIAPESIHHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-19-11-20(2)30(28-19)16-26(31)29(15-22-5-4-9-27-13-22)14-21-6-7-24(32-3)25(12-21)34-18-23-8-10-33-17-23/h4-7,9,11-13,23H,8,10,14-18H2,1-3H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 464.57 g/mol, XLogP of 3.55, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 45173757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).