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

C21H24FN7O3 — CID 146559156

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

N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(2R)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146559156) has the molecular formula C21H24FN7O3 and a molecular weight of 441.47 g/mol. Its IUPAC name is N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(2R)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(2R)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146559156
• Molecular Formula: C21H24FN7O3
• Molecular Weight: 441.47 g/mol
• Exact Mass: 441.19
• IUPAC Name: N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(2R)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn(C3C[C@H]3OC)c2=O)nc2c(C(=O)NC3CC[C@@H]3F)cnn12
• InChI: InChI=1S/C21H24FN7O3/c1-23-18-9-17(25-14-4-3-7-28(21(14)31)15-8-16(15)32-2)27-19-11(10-24-29(18)19)20(30)26-13-6-5-12(13)22/h3-4,7,9-10,12-13,15-16,23H,5-6,8H2,1-2H3,(H,25,27)(H,26,30)/t12-,13?,15?,16+/m0/s1
• InChIKey: JNPYDNIIBPNACY-ADNDVJRGSA-N
• XLogP: 1.87
• TPSA: 114.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.47
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(2R)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146559156) is N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(2R)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(2R)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(C3C[C@H]3OC)c2=O)nc2c(C(=O)NC3CC[C@@H]3F)cnn12.

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

The InChIKey is JNPYDNIIBPNACY-ADNDVJRGSA-N. The full InChI is InChI=1S/C21H24FN7O3/c1-23-18-9-17(25-14-4-3-7-28(21(14)31)15-8-16(15)32-2)27-19-11(10-24-29(18)19)20(30)26-13-6-5-12(13)22/h3-4,7,9-10,12-13,15-16,23H,5-6,8H2,1-2H3,(H,25,27)(H,26,30)/t12-,13?,15?,16+/m0/s1.

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

N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(2R)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 441.47 g/mol, XLogP of 1.87, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-fluorocyclobutyl]-5-[[1-[(2R)-2-methoxycyclopropyl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146559156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).