5-[[1-(3-methoxycyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxy-2-methylazetidin-1-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H30N8O4 — CID 146572528

About 5-[[1-(3-methoxycyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxy-2-methylazetidin-1-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[[1-(3-methoxycyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxy-2-methylazetidin-1-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146572528) has the molecular formula C23H30N8O4 and a molecular weight of 482.55 g/mol. Its IUPAC name is 5-[[1-(3-methoxycyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxy-2-methylazetidin-1-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[1-(3-methoxycyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxy-2-methylazetidin-1-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 146572528
• Molecular Formula: C23H30N8O4
• Molecular Weight: 482.55 g/mol
• Exact Mass: 482.24
• IUPAC Name: 5-[[1-(3-methoxycyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxy-2-methylazetidin-1-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn(C3CC(OC)C3)c2=O)nc2c(C(=O)NN3CC[C@@]3(C)OC)cnn12
• InChI: InChI=1S/C23H30N8O4/c1-23(35-4)7-9-30(23)28-21(32)16-13-25-31-19(24-2)12-18(27-20(16)31)26-17-6-5-8-29(22(17)33)14-10-15(11-14)34-3/h5-6,8,12-15,24H,7,9-11H2,1-4H3,(H,26,27)(H,28,32)/t14?,15?,23-/m1/s1
• InChIKey: GDYDRPREBWZHTJ-CKBDLISKSA-N
• XLogP: 1.74
• TPSA: 127.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.55
LogP ≤ 5	1.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 5-[[1-(3-methoxycyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxy-2-methylazetidin-1-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146572528) is 5-[[1-(3-methoxycyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxy-2-methylazetidin-1-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for 5-[[1-(3-methoxycyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxy-2-methylazetidin-1-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(C3CC(OC)C3)c2=O)nc2c(C(=O)NN3CC[C@@]3(C)OC)cnn12.

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

The InChIKey is GDYDRPREBWZHTJ-CKBDLISKSA-N. The full InChI is InChI=1S/C23H30N8O4/c1-23(35-4)7-9-30(23)28-21(32)16-13-25-31-19(24-2)12-18(27-20(16)31)26-17-6-5-8-29(22(17)33)14-10-15(11-14)34-3/h5-6,8,12-15,24H,7,9-11H2,1-4H3,(H,26,27)(H,28,32)/t14?,15?,23-/m1/s1.

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

5-[[1-(3-methoxycyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxy-2-methylazetidin-1-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 482.55 g/mol, XLogP of 1.74, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[1-(3-methoxycyclobutyl)-2-oxo-3-pyridinyl]amino]-N-[(2R)-2-methoxy-2-methylazetidin-1-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146572528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).