[8-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]-1,6-naphthyridin-2-yl]-(3-methoxyazetidin-1-yl)methanone

C24H25N5O3 — CID 118660820

IUPAC[8-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]-1,6-naphthyridin-2-yl]-(3-methoxyazetidin-1-yl)methanone
SMILESCOC1CN(C(=O)c2ccc3cncc(-c4ccc5c(cnn5CC(C)(C)O)c4)c3n2)C1
InChIInChI=1S/C24H25N5O3/c1-24(2,31)14-29-21-7-5-15(8-17(21)10-26-29)19-11-25-9-16-4-6-20(27-22(16)19)23(30)28-12-18(13-28)32-3/h4-11,18,31H,12-14H2,1-3H3
InChIKeyZPODUELDNKWVAB-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.89
Rot. Bonds5

About [8-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]-1,6-naphthyridin-2-yl]-(3-methoxyazetidin-1-yl)methanone

[8-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]-1,6-naphthyridin-2-yl]-(3-methoxyazetidin-1-yl)methanone (PubChem CID 118660820) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is [8-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]-1,6-naphthyridin-2-yl]-(3-methoxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name[8-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]-1,6-naphthyridin-2-yl]-(3-methoxyazetidin-1-yl)methanone
PubChem CID118660820
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name[8-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]-1,6-naphthyridin-2-yl]-(3-methoxyazetidin-1-yl)methanone
SMILESCOC1CN(C(=O)c2ccc3cncc(-c4ccc5c(cnn5CC(C)(C)O)c4)c3n2)C1
InChIInChI=1S/C24H25N5O3/c1-24(2,31)14-29-21-7-5-15(8-17(21)10-26-29)19-11-25-9-16-4-6-20(27-22(16)19)23(30)28-12-18(13-28)32-3/h4-11,18,31H,12-14H2,1-3H3
InChIKeyZPODUELDNKWVAB-UHFFFAOYSA-N
XLogP2.89
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [8-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]-1,6-naphthyridin-2-yl]-(3-methoxyazetidin-1-yl)methanone?
The IUPAC name of [8-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]-1,6-naphthyridin-2-yl]-(3-methoxyazetidin-1-yl)methanone (CID 118660820) is [8-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]-1,6-naphthyridin-2-yl]-(3-methoxyazetidin-1-yl)methanone.
What is the SMILES notation for [8-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]-1,6-naphthyridin-2-yl]-(3-methoxyazetidin-1-yl)methanone?
The canonical SMILES for [8-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]-1,6-naphthyridin-2-yl]-(3-methoxyazetidin-1-yl)methanone is COC1CN(C(=O)c2ccc3cncc(-c4ccc5c(cnn5CC(C)(C)O)c4)c3n2)C1.
What is the InChIKey of [8-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]-1,6-naphthyridin-2-yl]-(3-methoxyazetidin-1-yl)methanone?
The InChIKey is ZPODUELDNKWVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-24(2,31)14-29-21-7-5-15(8-17(21)10-26-29)19-11-25-9-16-4-6-20(27-22(16)19)23(30)28-12-18(13-28)32-3/h4-11,18,31H,12-14H2,1-3H3.
What are the key properties of [8-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]-1,6-naphthyridin-2-yl]-(3-methoxyazetidin-1-yl)methanone?
[8-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]-1,6-naphthyridin-2-yl]-(3-methoxyazetidin-1-yl)methanone has a molecular weight of 431.50 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]-1,6-naphthyridin-2-yl]-(3-methoxyazetidin-1-yl)methanone is sourced from PubChem (CID 118660820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).