5-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazole

C18H19N5 — CID 175506591

About 5-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazole

5-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazole (PubChem CID 175506591) has the molecular formula C18H19N5 and a molecular weight of 305.38 g/mol. Its IUPAC name is 5-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazole.

Molecular Properties

• Compound Name: 5-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazole
• PubChem CID: 175506591
• Molecular Formula: C18H19N5
• Molecular Weight: 305.38 g/mol
• Exact Mass: 305.16
• IUPAC Name: 5-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazole
• SMILES: CC1CCN1c1nc2c(c(-c3ccc4[nH]ncc4c3)n1)CCC2
• InChI: InChI=1S/C18H19N5/c1-11-7-8-23(11)18-20-16-4-2-3-14(16)17(21-18)12-5-6-15-13(9-12)10-19-22-15/h5-6,9-11H,2-4,7-8H2,1H3,(H,19,22)
• InChIKey: HBQVZECNNYWEAN-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 57.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	305.38
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazole?

The IUPAC name of 5-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazole (CID 175506591) is 5-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazole.

What is the SMILES notation for 5-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazole?

The canonical SMILES for 5-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazole is CC1CCN1c1nc2c(c(-c3ccc4[nH]ncc4c3)n1)CCC2.

What is the InChIKey of 5-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazole?

The InChIKey is HBQVZECNNYWEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c1-11-7-8-23(11)18-20-16-4-2-3-14(16)17(21-18)12-5-6-15-13(9-12)10-19-22-15/h5-6,9-11H,2-4,7-8H2,1H3,(H,19,22).

What are the key properties of 5-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazole?

5-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazole has a molecular weight of 305.38 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazole is sourced from PubChem (CID 175506591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).