N-cyclobutyl-5-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C24H30F2N8O2 — CID 137449333

About N-cyclobutyl-5-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclobutyl-5-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449333) has the molecular formula C24H30F2N8O2 and a molecular weight of 500.55 g/mol. Its IUPAC name is N-cyclobutyl-5-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclobutyl-5-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 137449333
• Molecular Formula: C24H30F2N8O2
• Molecular Weight: 500.55 g/mol
• Exact Mass: 500.25
• IUPAC Name: N-cyclobutyl-5-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn(C3CCN(CC(F)F)CC3)c2=O)nc2c(C(=O)NC3CCC3)cnn12
• InChI: InChI=1S/C24H30F2N8O2/c1-27-21-12-20(31-22-17(13-28-34(21)22)23(35)29-15-4-2-5-15)30-18-6-3-9-33(24(18)36)16-7-10-32(11-8-16)14-19(25)26/h3,6,9,12-13,15-16,19,27H,2,4-5,7-8,10-11,14H2,1H3,(H,29,35)(H,30,31)
• InChIKey: PTZZFFIGDRFAKH-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 108.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.55
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-5-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-cyclobutyl-5-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449333) is N-cyclobutyl-5-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-cyclobutyl-5-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-cyclobutyl-5-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(C3CCN(CC(F)F)CC3)c2=O)nc2c(C(=O)NC3CCC3)cnn12.

What is the InChIKey of N-cyclobutyl-5-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is PTZZFFIGDRFAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2N8O2/c1-27-21-12-20(31-22-17(13-28-34(21)22)23(35)29-15-4-2-5-15)30-18-6-3-9-33(24(18)36)16-7-10-32(11-8-16)14-19(25)26/h3,6,9,12-13,15-16,19,27H,2,4-5,7-8,10-11,14H2,1H3,(H,29,35)(H,30,31).

What are the key properties of N-cyclobutyl-5-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-cyclobutyl-5-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 500.55 g/mol, XLogP of 2.86, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclobutyl-5-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).