N-[[3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide

C23H26N4O3 — CID 124969560

IUPACN-[[3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
SMILESCn1cc(-c2ccncc2)c(-c2cccc(CNC(=O)COC[C@@H]3CCCO3)c2)n1
InChIInChI=1S/C23H26N4O3/c1-27-14-21(18-7-9-24-10-8-18)23(26-27)19-5-2-4-17(12-19)13-25-22(28)16-29-15-20-6-3-11-30-20/h2,4-5,7-10,12,14,20H,3,6,11,13,15-16H2,1H3,(H,25,28)/t20-/m0/s1
InChIKeyJJTVNYWGYCIBKU-FQEVSTJZSA-N
MW406.49 g/mol
LogP2.96
Rot. Bonds8

About N-[[3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide

N-[[3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide (PubChem CID 124969560) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[[3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide.

Molecular Properties

Compound NameN-[[3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
PubChem CID124969560
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[[3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
SMILESCn1cc(-c2ccncc2)c(-c2cccc(CNC(=O)COC[C@@H]3CCCO3)c2)n1
InChIInChI=1S/C23H26N4O3/c1-27-14-21(18-7-9-24-10-8-18)23(26-27)19-5-2-4-17(12-19)13-25-22(28)16-29-15-20-6-3-11-30-20/h2,4-5,7-10,12,14,20H,3,6,11,13,15-16H2,1H3,(H,25,28)/t20-/m0/s1
InChIKeyJJTVNYWGYCIBKU-FQEVSTJZSA-N
XLogP2.96
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(2S)-oxolan-2-yl]methoxy]-N-[(2R,3S)-2-pyridin-4-yloxan-3-yl]acetamide
CID 129489600
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
CID 129335770
2-[[(2S)-oxan-2-yl]methoxy]-N-(thiophen-3-ylmethyl)acetamide
CID 124854548
N-[(1-ethylindazol-3-yl)methyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
CID 125159688
N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 56785859
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 86868315
N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
CID 95935311
4-chloro-1-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 131919524
N-[[3-(methylsulfanylmethyl)phenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 99828041
N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
CID 129329743
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(oxan-2-ylmethoxy)acetamide
CID 91775341
N-[(4-chloro-2-methoxyphenyl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
CID 95616406

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide?
The IUPAC name of N-[[3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide (CID 124969560) is N-[[3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide.
What is the SMILES notation for N-[[3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide?
The canonical SMILES for N-[[3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide is Cn1cc(-c2ccncc2)c(-c2cccc(CNC(=O)COC[C@@H]3CCCO3)c2)n1.
What is the InChIKey of N-[[3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide?
The InChIKey is JJTVNYWGYCIBKU-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-27-14-21(18-7-9-24-10-8-18)23(26-27)19-5-2-4-17(12-19)13-25-22(28)16-29-15-20-6-3-11-30-20/h2,4-5,7-10,12,14,20H,3,6,11,13,15-16H2,1H3,(H,25,28)/t20-/m0/s1.
What are the key properties of N-[[3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide?
N-[[3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide has a molecular weight of 406.49 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide is sourced from PubChem (CID 124969560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).