N-[5-fluoro-2-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyphenyl]cyclobutene-1-carboxamide

C22H19FN6O2 — CID 163301567

IUPACN-[5-fluoro-2-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyphenyl]cyclobutene-1-carboxamide
SMILESCc1c(NC(=O)C2=CCC2)cc(F)cc1Oc1nc(-c2cnn(C)c2)cn2nccc12
InChIInChI=1S/C22H19FN6O2/c1-13-17(26-21(30)14-4-3-5-14)8-16(23)9-20(13)31-22-19-6-7-24-29(19)12-18(27-22)15-10-25-28(2)11-15/h4,6-12H,3,5H2,1-2H3,(H,26,30)
InChIKeyDKNSELORMSRWJB-UHFFFAOYSA-N
MW418.43 g/mol
LogP4.03
Rot. Bonds5

About N-[5-fluoro-2-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyphenyl]cyclobutene-1-carboxamide

N-[5-fluoro-2-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyphenyl]cyclobutene-1-carboxamide (PubChem CID 163301567) has the molecular formula C22H19FN6O2 and a molecular weight of 418.43 g/mol. Its IUPAC name is N-[5-fluoro-2-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyphenyl]cyclobutene-1-carboxamide.

Molecular Properties

Compound NameN-[5-fluoro-2-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyphenyl]cyclobutene-1-carboxamide
PubChem CID163301567
Molecular FormulaC22H19FN6O2
Molecular Weight418.43 g/mol
Exact Mass418.16
IUPAC NameN-[5-fluoro-2-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyphenyl]cyclobutene-1-carboxamide
SMILESCc1c(NC(=O)C2=CCC2)cc(F)cc1Oc1nc(-c2cnn(C)c2)cn2nccc12
InChIInChI=1S/C22H19FN6O2/c1-13-17(26-21(30)14-4-3-5-14)8-16(23)9-20(13)31-22-19-6-7-24-29(19)12-18(27-22)15-10-25-28(2)11-15/h4,6-12H,3,5H2,1-2H3,(H,26,30)
InChIKeyDKNSELORMSRWJB-UHFFFAOYSA-N
XLogP4.03
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-fluoro-2-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyphenyl]cyclobutene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyphenyl]cyclobutene-1-carboxamide?
The IUPAC name of N-[5-fluoro-2-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyphenyl]cyclobutene-1-carboxamide (CID 163301567) is N-[5-fluoro-2-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyphenyl]cyclobutene-1-carboxamide.
What is the SMILES notation for N-[5-fluoro-2-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyphenyl]cyclobutene-1-carboxamide?
The canonical SMILES for N-[5-fluoro-2-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyphenyl]cyclobutene-1-carboxamide is Cc1c(NC(=O)C2=CCC2)cc(F)cc1Oc1nc(-c2cnn(C)c2)cn2nccc12.
What is the InChIKey of N-[5-fluoro-2-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyphenyl]cyclobutene-1-carboxamide?
The InChIKey is DKNSELORMSRWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O2/c1-13-17(26-21(30)14-4-3-5-14)8-16(23)9-20(13)31-22-19-6-7-24-29(19)12-18(27-22)15-10-25-28(2)11-15/h4,6-12H,3,5H2,1-2H3,(H,26,30).
What are the key properties of N-[5-fluoro-2-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyphenyl]cyclobutene-1-carboxamide?
N-[5-fluoro-2-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyphenyl]cyclobutene-1-carboxamide has a molecular weight of 418.43 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyphenyl]cyclobutene-1-carboxamide is sourced from PubChem (CID 163301567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).