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

C18H19N5 — CID 175506591

IUPAC5-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazole
SMILESCC1CCN1c1nc2c(c(-c3ccc4[nH]ncc4c3)n1)CCC2
InChIInChI=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)
InChIKeyHBQVZECNNYWEAN-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.11
Rot. Bonds2

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 Name5-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazole
PubChem CID175506591
Molecular FormulaC18H19N5
Molecular Weight305.38 g/mol
Exact Mass305.16
IUPAC Name5-[2-(2-methylazetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazole
SMILESCC1CCN1c1nc2c(c(-c3ccc4[nH]ncc4c3)n1)CCC2
InChIInChI=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)
InChIKeyHBQVZECNNYWEAN-UHFFFAOYSA-N
XLogP3.11
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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).