N-cyclohexyl-5-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C26H30N4O3S — CID 46272534

IUPACN-cyclohexyl-5-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOc1cccc(CN2C(=O)c3cc(-c4cccs4)nn3CC2(C)C(=O)NC2CCCCC2)c1
InChIInChI=1S/C26H30N4O3S/c1-26(25(32)27-19-9-4-3-5-10-19)17-30-22(15-21(28-30)23-12-7-13-34-23)24(31)29(26)16-18-8-6-11-20(14-18)33-2/h6-8,11-15,19H,3-5,9-10,16-17H2,1-2H3,(H,27,32)
InChIKeyBPCQFMYCTUTEGT-UHFFFAOYSA-N
MW478.62 g/mol
LogP4.48
Rot. Bonds6

About N-cyclohexyl-5-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

N-cyclohexyl-5-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 46272534) has the molecular formula C26H30N4O3S and a molecular weight of 478.62 g/mol. Its IUPAC name is N-cyclohexyl-5-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID46272534
Molecular FormulaC26H30N4O3S
Molecular Weight478.62 g/mol
Exact Mass478.20
IUPAC NameN-cyclohexyl-5-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOc1cccc(CN2C(=O)c3cc(-c4cccs4)nn3CC2(C)C(=O)NC2CCCCC2)c1
InChIInChI=1S/C26H30N4O3S/c1-26(25(32)27-19-9-4-3-5-10-19)17-30-22(15-21(28-30)23-12-7-13-34-23)24(31)29(26)16-18-8-6-11-20(14-18)33-2/h6-8,11-15,19H,3-5,9-10,16-17H2,1-2H3,(H,27,32)
InChIKeyBPCQFMYCTUTEGT-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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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[(3-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-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 46272534) is N-cyclohexyl-5-[(3-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-[(3-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-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is COc1cccc(CN2C(=O)c3cc(-c4cccs4)nn3CC2(C)C(=O)NC2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-5-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is BPCQFMYCTUTEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3S/c1-26(25(32)27-19-9-4-3-5-10-19)17-30-22(15-21(28-30)23-12-7-13-34-23)24(31)29(26)16-18-8-6-11-20(14-18)33-2/h6-8,11-15,19H,3-5,9-10,16-17H2,1-2H3,(H,27,32).
What are the key properties of N-cyclohexyl-5-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
N-cyclohexyl-5-[(3-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-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 46272534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).