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

C28H30ClF2N9O4 — CID 118522313

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

N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[[2-(dimethylamino)-2-oxoethyl]amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 118522313) has the molecular formula C28H30ClF2N9O4 and a molecular weight of 630.06 g/mol. Its IUPAC name is N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[[2-(dimethylamino)-2-oxoethyl]amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[[2-(dimethylamino)-2-oxoethyl]amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 118522313
• Molecular Formula: C28H30ClF2N9O4
• Molecular Weight: 630.06 g/mol
• Exact Mass: 629.21
• IUPAC Name: N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[[2-(dimethylamino)-2-oxoethyl]amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CN(C)C(=O)CNC1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1
• InChI: InChI=1S/C28H30ClF2N9O4/c1-37(2)23(41)14-33-18-6-10-38(11-7-18)24(42)16-39-15-21(35-27(43)20-13-34-40-9-3-8-32-26(20)40)25(36-39)19-12-17(29)4-5-22(19)44-28(30)31/h3-5,8-9,12-13,15,18,28,33H,6-7,10-11,14,16H2,1-2H3,(H,35,43)
• InChIKey: RAWJIOBROVVLNL-UHFFFAOYSA-N
• XLogP: 2.77
• TPSA: 138.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	630.06
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[[2-(dimethylamino)-2-oxoethyl]amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 118522313) is N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[[2-(dimethylamino)-2-oxoethyl]amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[[2-(dimethylamino)-2-oxoethyl]amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C)C(=O)CNC1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1.

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

The InChIKey is RAWJIOBROVVLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClF2N9O4/c1-37(2)23(41)14-33-18-6-10-38(11-7-18)24(42)16-39-15-21(35-27(43)20-13-34-40-9-3-8-32-26(20)40)25(36-39)19-12-17(29)4-5-22(19)44-28(30)31/h3-5,8-9,12-13,15,18,28,33H,6-7,10-11,14,16H2,1-2H3,(H,35,43).

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

N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[[2-(dimethylamino)-2-oxoethyl]amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 630.06 g/mol, XLogP of 2.77, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[[2-(dimethylamino)-2-oxoethyl]amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118522313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).