N-[1-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C27H30F2N8O3S — CID 146626357

About N-[1-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146626357) has the molecular formula C27H30F2N8O3S and a molecular weight of 584.65 g/mol. Its IUPAC name is N-[1-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146626357
• Molecular Formula: C27H30F2N8O3S
• Molecular Weight: 584.65 g/mol
• Exact Mass: 584.21
• IUPAC Name: N-[1-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC(C)Sc1ccc(OC(F)F)c(-c2nn(CC(=O)N3CCC(N)CC3)cc2NC(=O)c2cnn3cccnc23)c1
• InChI: InChI=1S/C27H30F2N8O3S/c1-16(2)41-18-4-5-22(40-27(28)29)19(12-18)24-21(33-26(39)20-13-32-37-9-3-8-31-25(20)37)14-36(34-24)15-23(38)35-10-6-17(30)7-11-35/h3-5,8-9,12-14,16-17,27H,6-7,10-11,15,30H2,1-2H3,(H,33,39)
• InChIKey: FXJKBNLYSOLNJL-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 132.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	584.65
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[1-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146626357) is N-[1-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[1-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[1-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)Sc1ccc(OC(F)F)c(-c2nn(CC(=O)N3CCC(N)CC3)cc2NC(=O)c2cnn3cccnc23)c1.

What is the InChIKey of N-[1-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is FXJKBNLYSOLNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F2N8O3S/c1-16(2)41-18-4-5-22(40-27(28)29)19(12-18)24-21(33-26(39)20-13-32-37-9-3-8-31-25(20)37)14-36(34-24)15-23(38)35-10-6-17(30)7-11-35/h3-5,8-9,12-14,16-17,27H,6-7,10-11,15,30H2,1-2H3,(H,33,39).

What are the key properties of N-[1-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[1-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 584.65 g/mol, XLogP of 3.90, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3-[2-(difluoromethoxy)-5-propan-2-ylsulfanylphenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146626357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).