N-[5-[2-(difluoromethoxy)-5-[3-[2-(dimethylamino)-2-oxoethyl]-4-methylphenoxy]phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C28H25F2N7O4 — CID 164729949

About N-[5-[2-(difluoromethoxy)-5-[3-[2-(dimethylamino)-2-oxoethyl]-4-methylphenoxy]phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[5-[2-(difluoromethoxy)-5-[3-[2-(dimethylamino)-2-oxoethyl]-4-methylphenoxy]phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 164729949) has the molecular formula C28H25F2N7O4 and a molecular weight of 561.55 g/mol. Its IUPAC name is N-[5-[2-(difluoromethoxy)-5-[3-[2-(dimethylamino)-2-oxoethyl]-4-methylphenoxy]phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[2-(difluoromethoxy)-5-[3-[2-(dimethylamino)-2-oxoethyl]-4-methylphenoxy]phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 164729949
• Molecular Formula: C28H25F2N7O4
• Molecular Weight: 561.55 g/mol
• Exact Mass: 561.19
• IUPAC Name: N-[5-[2-(difluoromethoxy)-5-[3-[2-(dimethylamino)-2-oxoethyl]-4-methylphenoxy]phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1ccc(Oc2ccc(OC(F)F)c(-c3[nH]ncc3NC(=O)c3cnn4cccnc34)c2)cc1CC(=O)N(C)C
• InChI: InChI=1S/C28H25F2N7O4/c1-16-5-6-18(11-17(16)12-24(38)36(2)3)40-19-7-8-23(41-28(29)30)20(13-19)25-22(15-32-35-25)34-27(39)21-14-33-37-10-4-9-31-26(21)37/h4-11,13-15,28H,12H2,1-3H3,(H,32,35)(H,34,39)
• InChIKey: SNQBUBLXSZPXIY-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 126.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.55
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(difluoromethoxy)-5-[3-[2-(dimethylamino)-2-oxoethyl]-4-methylphenoxy]phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[5-[2-(difluoromethoxy)-5-[3-[2-(dimethylamino)-2-oxoethyl]-4-methylphenoxy]phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 164729949) is N-[5-[2-(difluoromethoxy)-5-[3-[2-(dimethylamino)-2-oxoethyl]-4-methylphenoxy]phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[5-[2-(difluoromethoxy)-5-[3-[2-(dimethylamino)-2-oxoethyl]-4-methylphenoxy]phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[5-[2-(difluoromethoxy)-5-[3-[2-(dimethylamino)-2-oxoethyl]-4-methylphenoxy]phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(Oc2ccc(OC(F)F)c(-c3[nH]ncc3NC(=O)c3cnn4cccnc34)c2)cc1CC(=O)N(C)C.

What is the InChIKey of N-[5-[2-(difluoromethoxy)-5-[3-[2-(dimethylamino)-2-oxoethyl]-4-methylphenoxy]phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is SNQBUBLXSZPXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F2N7O4/c1-16-5-6-18(11-17(16)12-24(38)36(2)3)40-19-7-8-23(41-28(29)30)20(13-19)25-22(15-32-35-25)34-27(39)21-14-33-37-10-4-9-31-26(21)37/h4-11,13-15,28H,12H2,1-3H3,(H,32,35)(H,34,39).

What are the key properties of N-[5-[2-(difluoromethoxy)-5-[3-[2-(dimethylamino)-2-oxoethyl]-4-methylphenoxy]phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[5-[2-(difluoromethoxy)-5-[3-[2-(dimethylamino)-2-oxoethyl]-4-methylphenoxy]phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 561.55 g/mol, XLogP of 4.70, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-(difluoromethoxy)-5-[3-[2-(dimethylamino)-2-oxoethyl]-4-methylphenoxy]phenyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 164729949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).