2,5-dimethyl-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide

C26H28N4O2S — CID 45222890

IUPAC2,5-dimethyl-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
SMILESCc1ccc2cc(CN(CC3CCCO3)C(=O)c3cc(C)nn3C)c(-c3cccs3)nc2c1
InChIInChI=1S/C26H28N4O2S/c1-17-8-9-19-14-20(25(27-22(19)12-17)24-7-5-11-33-24)15-30(16-21-6-4-10-32-21)26(31)23-13-18(2)28-29(23)3/h5,7-9,11-14,21H,4,6,10,15-16H2,1-3H3
InChIKeyVPFYXEIQYSDQTB-UHFFFAOYSA-N
MW460.60 g/mol
LogP5.14
Rot. Bonds6

About 2,5-dimethyl-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide

2,5-dimethyl-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide (PubChem CID 45222890) has the molecular formula C26H28N4O2S and a molecular weight of 460.60 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
PubChem CID45222890
Molecular FormulaC26H28N4O2S
Molecular Weight460.60 g/mol
Exact Mass460.19
IUPAC Name2,5-dimethyl-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
SMILESCc1ccc2cc(CN(CC3CCCO3)C(=O)c3cc(C)nn3C)c(-c3cccs3)nc2c1
InChIInChI=1S/C26H28N4O2S/c1-17-8-9-19-14-20(25(27-22(19)12-17)24-7-5-11-33-24)15-30(16-21-6-4-10-32-21)26(31)23-13-18(2)28-29(23)3/h5,7-9,11-14,21H,4,6,10,15-16H2,1-3H3
InChIKeyVPFYXEIQYSDQTB-UHFFFAOYSA-N
XLogP5.14
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.60
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,5-dimethyl-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide with MolForge

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Related Compounds

3-(3-methylpyrazol-1-yl)-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 118757755
2,3-dimethoxy-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125173420
N-[[6,7-dimethoxy-2-(3-methoxyphenyl)quinolin-3-yl]methyl]-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
CID 42484326
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 1077992
N-ethyl-1,3-dimethyl-N-(oxolan-2-ylmethyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 47790099
N-[[6,7-dimethoxy-2-(3-methoxyphenyl)quinolin-3-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 42472762
N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 42819324
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 3193958
N-(4-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
CID 40966618
N-(5-methoxy-1,3-benzothiazol-2-yl)-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-3-carboxamide
CID 40966634
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 55514055
5,6-dimethyl-N-[[6-methyl-2-(2-methylphenyl)quinolin-3-yl]methyl]-2-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-carboxamide
CID 56857788

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide (CID 45222890) is 2,5-dimethyl-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide is Cc1ccc2cc(CN(CC3CCCO3)C(=O)c3cc(C)nn3C)c(-c3cccs3)nc2c1.
What is the InChIKey of 2,5-dimethyl-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is VPFYXEIQYSDQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2S/c1-17-8-9-19-14-20(25(27-22(19)12-17)24-7-5-11-33-24)15-30(16-21-6-4-10-32-21)26(31)23-13-18(2)28-29(23)3/h5,7-9,11-14,21H,4,6,10,15-16H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide?
2,5-dimethyl-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 460.60 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 45222890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).