N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[1-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H27N7O4 — CID 146383343

About N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[1-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[1-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146383343) has the molecular formula C23H27N7O4 and a molecular weight of 465.51 g/mol. Its IUPAC name is N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[1-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[1-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146383343
• Molecular Formula: C23H27N7O4
• Molecular Weight: 465.51 g/mol
• Exact Mass: 465.21
• IUPAC Name: N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[1-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn(C3CC4(COC4)C3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@@H]3O)cnn12
• InChI: InChI=1S/C23H27N7O4/c1-24-19-7-18(28-20-14(10-25-30(19)20)21(32)27-15-4-5-17(15)31)26-16-3-2-6-29(22(16)33)13-8-23(9-13)11-34-12-23/h2-3,6-7,10,13,15,17,24,31H,4-5,8-9,11-12H2,1H3,(H,26,28)(H,27,32)/t15-,17+/m1/s1
• InChIKey: PYWLSMCWZGVIIN-WBVHZDCISA-N
• XLogP: 1.28
• TPSA: 134.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.51
LogP ≤ 5	1.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[1-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[1-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146383343) is N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[1-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[1-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[1-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(C3CC4(COC4)C3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@@H]3O)cnn12.

What is the InChIKey of N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[1-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is PYWLSMCWZGVIIN-WBVHZDCISA-N. The full InChI is InChI=1S/C23H27N7O4/c1-24-19-7-18(28-20-14(10-25-30(19)20)21(32)27-15-4-5-17(15)31)26-16-3-2-6-29(22(16)33)13-8-23(9-13)11-34-12-23/h2-3,6-7,10,13,15,17,24,31H,4-5,8-9,11-12H2,1H3,(H,26,28)(H,27,32)/t15-,17+/m1/s1.

What are the key properties of N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[1-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[1-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 465.51 g/mol, XLogP of 1.28, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[1-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146383343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).