5-[[1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methoxycyclobutane

C24H33FN8O3 — CID 142523939

About 5-[[1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methoxycyclobutane

5-[[1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methoxycyclobutane (PubChem CID 142523939) has the molecular formula C24H33FN8O3 and a molecular weight of 500.58 g/mol. Its IUPAC name is 5-[[1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methoxycyclobutane.

Molecular Properties

• Compound Name: 5-[[1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methoxycyclobutane
• PubChem CID: 142523939
• Molecular Formula: C24H33FN8O3
• Molecular Weight: 500.58 g/mol
• Exact Mass: 500.27
• IUPAC Name: 5-[[1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methoxycyclobutane
• SMILES: CNc1cc(Nc2cccn(C3CCN(CCF)C3)c2=O)nc2c(C(N)=O)cnn12.COC1CCC1
• InChI: InChI=1S/C19H23FN8O2.C5H10O/c1-22-16-9-15(25-18-13(17(21)29)10-23-28(16)18)24-14-3-2-6-27(19(14)30)12-4-7-26(11-12)8-5-20;1-6-5-3-2-4-5/h2-3,6,9-10,12,22H,4-5,7-8,11H2,1H3,(H2,21,29)(H,24,25);5H,2-4H2,1H3
• InChIKey: MRCNXIHAQKORFJ-UHFFFAOYSA-N
• XLogP: 2.18
• TPSA: 131.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.58
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[[1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methoxycyclobutane?

The IUPAC name of 5-[[1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methoxycyclobutane (CID 142523939) is 5-[[1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methoxycyclobutane.

What is the SMILES notation for 5-[[1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methoxycyclobutane?

The canonical SMILES for 5-[[1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methoxycyclobutane is CNc1cc(Nc2cccn(C3CCN(CCF)C3)c2=O)nc2c(C(N)=O)cnn12.COC1CCC1.

What is the InChIKey of 5-[[1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methoxycyclobutane?

The InChIKey is MRCNXIHAQKORFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN8O2.C5H10O/c1-22-16-9-15(25-18-13(17(21)29)10-23-28(16)18)24-14-3-2-6-27(19(14)30)12-4-7-26(11-12)8-5-20;1-6-5-3-2-4-5/h2-3,6,9-10,12,22H,4-5,7-8,11H2,1H3,(H2,21,29)(H,24,25);5H,2-4H2,1H3.

What are the key properties of 5-[[1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methoxycyclobutane?

5-[[1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methoxycyclobutane has a molecular weight of 500.58 g/mol, XLogP of 2.18, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[1-[1-(2-fluoroethyl)pyrrolidin-3-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;methoxycyclobutane is sourced from PubChem (CID 142523939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).