N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(3S)-1-methoxypiperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H27FN8O3 — CID 146407146

About N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(3S)-1-methoxypiperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(3S)-1-methoxypiperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146407146) has the molecular formula C22H27FN8O3 and a molecular weight of 470.51 g/mol. Its IUPAC name is N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(3S)-1-methoxypiperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(3S)-1-methoxypiperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146407146
• Molecular Formula: C22H27FN8O3
• Molecular Weight: 470.51 g/mol
• Exact Mass: 470.22
• IUPAC Name: N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(3S)-1-methoxypiperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn([C@H]3CCCN(OC)C3)c2=O)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12
• InChI: InChI=1S/C22H27FN8O3/c1-24-19-10-18(28-20-14(11-25-31(19)20)21(32)27-17-9-15(17)23)26-16-6-4-8-30(22(16)33)13-5-3-7-29(12-13)34-2/h4,6,8,10-11,13,15,17,24H,3,5,7,9,12H2,1-2H3,(H,26,28)(H,27,32)/t13-,15-,17+/m0/s1
• InChIKey: KXIMWBYFXDGJQR-JLJPHGGASA-N
• XLogP: 1.71
• TPSA: 117.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.51
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(3S)-1-methoxypiperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146407146) is N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(3S)-1-methoxypiperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(3S)-1-methoxypiperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn([C@H]3CCCN(OC)C3)c2=O)nc2c(C(=O)N[C@@H]3C[C@@H]3F)cnn12.

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

The InChIKey is KXIMWBYFXDGJQR-JLJPHGGASA-N. The full InChI is InChI=1S/C22H27FN8O3/c1-24-19-10-18(28-20-14(11-25-31(19)20)21(32)27-17-9-15(17)23)26-16-6-4-8-30(22(16)33)13-5-3-7-29(12-13)34-2/h4,6,8,10-11,13,15,17,24H,3,5,7,9,12H2,1-2H3,(H,26,28)(H,27,32)/t13-,15-,17+/m0/s1.

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

N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(3S)-1-methoxypiperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 470.51 g/mol, XLogP of 1.71, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2S)-2-fluorocyclopropyl]-5-[[1-[(3S)-1-methoxypiperidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146407146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).