N-[3-cyano-4-(1-methylpiperidin-4-yl)oxyphenyl]-5-[4-(difluoromethyl)phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide

C28H28F2N6O3 — CID 174163046

About N-[3-cyano-4-(1-methylpiperidin-4-yl)oxyphenyl]-5-[4-(difluoromethyl)phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide

N-[3-cyano-4-(1-methylpiperidin-4-yl)oxyphenyl]-5-[4-(difluoromethyl)phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 174163046) has the molecular formula C28H28F2N6O3 and a molecular weight of 534.57 g/mol. Its IUPAC name is N-[3-cyano-4-(1-methylpiperidin-4-yl)oxyphenyl]-5-[4-(difluoromethyl)phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-cyano-4-(1-methylpiperidin-4-yl)oxyphenyl]-5-[4-(difluoromethyl)phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
• PubChem CID: 174163046
• Molecular Formula: C28H28F2N6O3
• Molecular Weight: 534.57 g/mol
• Exact Mass: 534.22
• IUPAC Name: N-[3-cyano-4-(1-methylpiperidin-4-yl)oxyphenyl]-5-[4-(difluoromethyl)phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
• SMILES: CC1Cn2ncc(C(=O)Nc3ccc(OC4CCN(C)CC4)c(C#N)c3)c2C(=O)N1c1ccc(C(F)F)cc1
• InChI: InChI=1S/C28H28F2N6O3/c1-17-16-35-25(28(38)36(17)21-6-3-18(4-7-21)26(29)30)23(15-32-35)27(37)33-20-5-8-24(19(13-20)14-31)39-22-9-11-34(2)12-10-22/h3-8,13,15,17,22,26H,9-12,16H2,1-2H3,(H,33,37)
• InChIKey: LPFUYMAKSJFKAX-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 103.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.57
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-(1-methylpiperidin-4-yl)oxyphenyl]-5-[4-(difluoromethyl)phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?

The IUPAC name of N-[3-cyano-4-(1-methylpiperidin-4-yl)oxyphenyl]-5-[4-(difluoromethyl)phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide (CID 174163046) is N-[3-cyano-4-(1-methylpiperidin-4-yl)oxyphenyl]-5-[4-(difluoromethyl)phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide.

What is the SMILES notation for N-[3-cyano-4-(1-methylpiperidin-4-yl)oxyphenyl]-5-[4-(difluoromethyl)phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?

The canonical SMILES for N-[3-cyano-4-(1-methylpiperidin-4-yl)oxyphenyl]-5-[4-(difluoromethyl)phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is CC1Cn2ncc(C(=O)Nc3ccc(OC4CCN(C)CC4)c(C#N)c3)c2C(=O)N1c1ccc(C(F)F)cc1.

What is the InChIKey of N-[3-cyano-4-(1-methylpiperidin-4-yl)oxyphenyl]-5-[4-(difluoromethyl)phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?

The InChIKey is LPFUYMAKSJFKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F2N6O3/c1-17-16-35-25(28(38)36(17)21-6-3-18(4-7-21)26(29)30)23(15-32-35)27(37)33-20-5-8-24(19(13-20)14-31)39-22-9-11-34(2)12-10-22/h3-8,13,15,17,22,26H,9-12,16H2,1-2H3,(H,33,37).

What are the key properties of N-[3-cyano-4-(1-methylpiperidin-4-yl)oxyphenyl]-5-[4-(difluoromethyl)phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide?

N-[3-cyano-4-(1-methylpiperidin-4-yl)oxyphenyl]-5-[4-(difluoromethyl)phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 534.57 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-cyano-4-(1-methylpiperidin-4-yl)oxyphenyl]-5-[4-(difluoromethyl)phenyl]-6-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 174163046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).