4-[benzyl(methyl)amino]-N-(3-fluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide

C23H22FN5O2 — CID 91908393

IUPAC4-[benzyl(methyl)amino]-N-(3-fluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3c(N(C)Cc4ccccc4)nc(C)cn3n2)cc1F
InChIInChI=1S/C23H22FN5O2/c1-15-13-29-20(22(25-15)28(2)14-16-7-5-4-6-8-16)12-19(27-29)23(30)26-17-9-10-21(31-3)18(24)11-17/h4-13H,14H2,1-3H3,(H,26,30)
InChIKeyARULNHPTXSKWGK-UHFFFAOYSA-N
MW419.46 g/mol
LogP4.07
Rot. Bonds6

About 4-[benzyl(methyl)amino]-N-(3-fluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide

4-[benzyl(methyl)amino]-N-(3-fluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 91908393) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 g/mol. Its IUPAC name is 4-[benzyl(methyl)amino]-N-(3-fluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name4-[benzyl(methyl)amino]-N-(3-fluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID91908393
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
IUPAC Name4-[benzyl(methyl)amino]-N-(3-fluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3c(N(C)Cc4ccccc4)nc(C)cn3n2)cc1F
InChIInChI=1S/C23H22FN5O2/c1-15-13-29-20(22(25-15)28(2)14-16-7-5-4-6-8-16)12-19(27-29)23(30)26-17-9-10-21(31-3)18(24)11-17/h4-13H,14H2,1-3H3,(H,26,30)
InChIKeyARULNHPTXSKWGK-UHFFFAOYSA-N
XLogP4.07
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methyl)amino]-N-(3-fluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 4-[benzyl(methyl)amino]-N-(3-fluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide (CID 91908393) is 4-[benzyl(methyl)amino]-N-(3-fluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 4-[benzyl(methyl)amino]-N-(3-fluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 4-[benzyl(methyl)amino]-N-(3-fluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide is COc1ccc(NC(=O)c2cc3c(N(C)Cc4ccccc4)nc(C)cn3n2)cc1F.
What is the InChIKey of 4-[benzyl(methyl)amino]-N-(3-fluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is ARULNHPTXSKWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2/c1-15-13-29-20(22(25-15)28(2)14-16-7-5-4-6-8-16)12-19(27-29)23(30)26-17-9-10-21(31-3)18(24)11-17/h4-13H,14H2,1-3H3,(H,26,30).
What are the key properties of 4-[benzyl(methyl)amino]-N-(3-fluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide?
4-[benzyl(methyl)amino]-N-(3-fluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 419.46 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methyl)amino]-N-(3-fluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 91908393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).