N-cyclohexyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C26H30N4O3S — CID 46272533

IUPACN-cyclohexyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOc1ccccc1CN1C(=O)c2cc(-c3cccs3)nn2CC1(C)C(=O)NC1CCCCC1
InChIInChI=1S/C26H30N4O3S/c1-26(25(32)27-19-10-4-3-5-11-19)17-30-21(15-20(28-30)23-13-8-14-34-23)24(31)29(26)16-18-9-6-7-12-22(18)33-2/h6-9,12-15,19H,3-5,10-11,16-17H2,1-2H3,(H,27,32)
InChIKeyDTUITEZQUYIENA-UHFFFAOYSA-N
MW478.62 g/mol
LogP4.48
Rot. Bonds6

About N-cyclohexyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

N-cyclohexyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 46272533) has the molecular formula C26H30N4O3S and a molecular weight of 478.62 g/mol. Its IUPAC name is N-cyclohexyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID46272533
Molecular FormulaC26H30N4O3S
Molecular Weight478.62 g/mol
Exact Mass478.20
IUPAC NameN-cyclohexyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOc1ccccc1CN1C(=O)c2cc(-c3cccs3)nn2CC1(C)C(=O)NC1CCCCC1
InChIInChI=1S/C26H30N4O3S/c1-26(25(32)27-19-10-4-3-5-11-19)17-30-21(15-20(28-30)23-13-8-14-34-23)24(31)29(26)16-18-9-6-7-12-22(18)33-2/h6-9,12-15,19H,3-5,10-11,16-17H2,1-2H3,(H,27,32)
InChIKeyDTUITEZQUYIENA-UHFFFAOYSA-N
XLogP4.48
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(S)-1-(5-((2-aminopropanamido)methyl)thiophen-3-yl)-N-(2-methoxybenzyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 25218467
Pyrazole scaffold, 10a
CID 25218468
Pyrazole scaffold, 10e
CID 25218481
N-[(2,5-Dimethoxyphenyl)methyl]-1-methyl-1H,4H-thiochromeno[4,3-C]pyrazole-3-carboxamide
CID 16017141
N-[2-(4-Ethoxyphenyl)ethyl]-1-methyl-1H,4H-thiochromeno[4,3-C]pyrazole-3-carboxamide
CID 16017196
N-(2-ethoxybenzyl)-1-methyl-1,4-dihydrothiochromeno[4,3-c]pyrazole-3-carboxamide 5,5-dioxide
CID 16017807
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CID 24980011
1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenyl-N-(thiophen-2-ylmethyl)pyrazole-3-carboxamide
CID 24980541
N-[2-(2-methoxyanilino)-2-oxoethyl]-1-phenyl-N-propyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 24980596
3-ethyl-1-methyl-N-{2-[2-(3-thienyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethyl}-1H-pyrazole-5-carboxamide
CID 45165970
US9957261, Example 85
CID 118694794
N-[(5-Bromo-2-methoxyphenyl)methyl]-2-[4-oxo-2-(thiophen-2-YL)-4H,5H-pyrazolo[1,5-D][1,2,4]triazin-5-YL]acetamide
CID 16016755

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of N-cyclohexyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 46272533) is N-cyclohexyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for N-cyclohexyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is COc1ccccc1CN1C(=O)c2cc(-c3cccs3)nn2CC1(C)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is DTUITEZQUYIENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3S/c1-26(25(32)27-19-10-4-3-5-11-19)17-30-21(15-20(28-30)23-13-8-14-34-23)24(31)29(26)16-18-9-6-7-12-22(18)33-2/h6-9,12-15,19H,3-5,10-11,16-17H2,1-2H3,(H,27,32).
What are the key properties of N-cyclohexyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
N-cyclohexyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 478.62 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 46272533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).