N-[3-[2-(difluoromethoxy)-5-[3-(dimethylcarbamoyl)-4-methylphenoxy]phenyl]-1-[2-[[(3R)-oxan-3-yl]amino]ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C34H36F2N8O5 — CID 175701970

About N-[3-[2-(difluoromethoxy)-5-[3-(dimethylcarbamoyl)-4-methylphenoxy]phenyl]-1-[2-[[(3R)-oxan-3-yl]amino]ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[2-(difluoromethoxy)-5-[3-(dimethylcarbamoyl)-4-methylphenoxy]phenyl]-1-[2-[[(3R)-oxan-3-yl]amino]ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 175701970) has the molecular formula C34H36F2N8O5 and a molecular weight of 674.71 g/mol. Its IUPAC name is N-[3-[2-(difluoromethoxy)-5-[3-(dimethylcarbamoyl)-4-methylphenoxy]phenyl]-1-[2-[[(3R)-oxan-3-yl]amino]ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-(difluoromethoxy)-5-[3-(dimethylcarbamoyl)-4-methylphenoxy]phenyl]-1-[2-[[(3R)-oxan-3-yl]amino]ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 175701970
• Molecular Formula: C34H36F2N8O5
• Molecular Weight: 674.71 g/mol
• Exact Mass: 674.28
• IUPAC Name: N-[3-[2-(difluoromethoxy)-5-[3-(dimethylcarbamoyl)-4-methylphenoxy]phenyl]-1-[2-[[(3R)-oxan-3-yl]amino]ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1ccc(Oc2ccc(OC(F)F)c(-c3nn(CCN[C@@H]4CCCOC4)cc3NC(=O)c3cnn4cccnc34)c2)cc1C(=O)N(C)C
• InChI: InChI=1S/C34H36F2N8O5/c1-21-7-8-23(16-25(21)33(46)42(2)3)48-24-9-10-29(49-34(35)36)26(17-24)30-28(19-43(41-30)14-12-37-22-6-4-15-47-20-22)40-32(45)27-18-39-44-13-5-11-38-31(27)44/h5,7-11,13,16-19,22,34,37H,4,6,12,14-15,20H2,1-3H3,(H,40,45)/t22-/m1/s1
• InChIKey: ALIAETVQADECBJ-JOCHJYFZSA-N
• XLogP: 5.02
• TPSA: 137.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	674.71
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(difluoromethoxy)-5-[3-(dimethylcarbamoyl)-4-methylphenoxy]phenyl]-1-[2-[[(3R)-oxan-3-yl]amino]ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[3-[2-(difluoromethoxy)-5-[3-(dimethylcarbamoyl)-4-methylphenoxy]phenyl]-1-[2-[[(3R)-oxan-3-yl]amino]ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 175701970) is N-[3-[2-(difluoromethoxy)-5-[3-(dimethylcarbamoyl)-4-methylphenoxy]phenyl]-1-[2-[[(3R)-oxan-3-yl]amino]ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[3-[2-(difluoromethoxy)-5-[3-(dimethylcarbamoyl)-4-methylphenoxy]phenyl]-1-[2-[[(3R)-oxan-3-yl]amino]ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[3-[2-(difluoromethoxy)-5-[3-(dimethylcarbamoyl)-4-methylphenoxy]phenyl]-1-[2-[[(3R)-oxan-3-yl]amino]ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(Oc2ccc(OC(F)F)c(-c3nn(CCN[C@@H]4CCCOC4)cc3NC(=O)c3cnn4cccnc34)c2)cc1C(=O)N(C)C.

What is the InChIKey of N-[3-[2-(difluoromethoxy)-5-[3-(dimethylcarbamoyl)-4-methylphenoxy]phenyl]-1-[2-[[(3R)-oxan-3-yl]amino]ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is ALIAETVQADECBJ-JOCHJYFZSA-N. The full InChI is InChI=1S/C34H36F2N8O5/c1-21-7-8-23(16-25(21)33(46)42(2)3)48-24-9-10-29(49-34(35)36)26(17-24)30-28(19-43(41-30)14-12-37-22-6-4-15-47-20-22)40-32(45)27-18-39-44-13-5-11-38-31(27)44/h5,7-11,13,16-19,22,34,37H,4,6,12,14-15,20H2,1-3H3,(H,40,45)/t22-/m1/s1.

What are the key properties of N-[3-[2-(difluoromethoxy)-5-[3-(dimethylcarbamoyl)-4-methylphenoxy]phenyl]-1-[2-[[(3R)-oxan-3-yl]amino]ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[3-[2-(difluoromethoxy)-5-[3-(dimethylcarbamoyl)-4-methylphenoxy]phenyl]-1-[2-[[(3R)-oxan-3-yl]amino]ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 674.71 g/mol, XLogP of 5.02, 12 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-(difluoromethoxy)-5-[3-(dimethylcarbamoyl)-4-methylphenoxy]phenyl]-1-[2-[[(3R)-oxan-3-yl]amino]ethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 175701970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).