N-[[4-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]methyl]oxolane-3-carboxamide

C26H33N7O2 — CID 59322067

IUPACN-[[4-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]methyl]oxolane-3-carboxamide
SMILESCc1c(CN2CCN(c3nccnc3-c3ccc(CNC(=O)C4CCOC4)cc3)CC2)cnn1C
InChIInChI=1S/C26H33N7O2/c1-19-23(16-30-31(19)2)17-32-10-12-33(13-11-32)25-24(27-8-9-28-25)21-5-3-20(4-6-21)15-29-26(34)22-7-14-35-18-22/h3-6,8-9,16,22H,7,10-15,17-18H2,1-2H3,(H,29,34)
InChIKeyQWPYZSPWISHEFH-UHFFFAOYSA-N
MW475.60 g/mol
LogP2.16
Rot. Bonds7

About N-[[4-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]methyl]oxolane-3-carboxamide

N-[[4-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]methyl]oxolane-3-carboxamide (PubChem CID 59322067) has the molecular formula C26H33N7O2 and a molecular weight of 475.60 g/mol. Its IUPAC name is N-[[4-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]methyl]oxolane-3-carboxamide
PubChem CID59322067
Molecular FormulaC26H33N7O2
Molecular Weight475.60 g/mol
Exact Mass475.27
IUPAC NameN-[[4-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]methyl]oxolane-3-carboxamide
SMILESCc1c(CN2CCN(c3nccnc3-c3ccc(CNC(=O)C4CCOC4)cc3)CC2)cnn1C
InChIInChI=1S/C26H33N7O2/c1-19-23(16-30-31(19)2)17-32-10-12-33(13-11-32)25-24(27-8-9-28-25)21-5-3-20(4-6-21)15-29-26(34)22-7-14-35-18-22/h3-6,8-9,16,22H,7,10-15,17-18H2,1-2H3,(H,29,34)
InChIKeyQWPYZSPWISHEFH-UHFFFAOYSA-N
XLogP2.16
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.60
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[4-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]methyl]oxolane-3-carboxamide with MolForge

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Related Compounds

1-[[4-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]methyl]-3-propylurea;hydrochloride
CID 68595620
N-[[4-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]methyl]methanesulfonamide
CID 59321840
2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methylphenyl)pyrazine
CID 59322064
2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-methoxyphenyl)pyrazine
CID 59322079
2-[4-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenoxy]acetamide;hydrochloride
CID 68594159
2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-ethoxyphenyl)pyrazine
CID 59321866
2-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrazine;hydrochloride
CID 68595057
1-[4-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]ethanamine
CID 70915375
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]oxolane-3-carboxamide
CID 122274513
N-[[1-(3-methylpyrazin-2-yl)piperidin-4-yl]methyl]oxolane-3-carboxamide
CID 131950838
2-[4-[(5-chloro-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine
CID 59321838
1-methyl-N-[[4-[(oxolane-3-carbonylamino)methyl]phenyl]methyl]pyrazole-3-carboxamide
CID 146148732

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]methyl]oxolane-3-carboxamide?
The IUPAC name of N-[[4-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]methyl]oxolane-3-carboxamide (CID 59322067) is N-[[4-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[[4-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[[4-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]methyl]oxolane-3-carboxamide is Cc1c(CN2CCN(c3nccnc3-c3ccc(CNC(=O)C4CCOC4)cc3)CC2)cnn1C.
What is the InChIKey of N-[[4-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]methyl]oxolane-3-carboxamide?
The InChIKey is QWPYZSPWISHEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O2/c1-19-23(16-30-31(19)2)17-32-10-12-33(13-11-32)25-24(27-8-9-28-25)21-5-3-20(4-6-21)15-29-26(34)22-7-14-35-18-22/h3-6,8-9,16,22H,7,10-15,17-18H2,1-2H3,(H,29,34).
What are the key properties of N-[[4-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]methyl]oxolane-3-carboxamide?
N-[[4-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]methyl]oxolane-3-carboxamide has a molecular weight of 475.60 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazin-2-yl]phenyl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 59322067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).