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

C24H25N5O3 — CID 118660752

IUPAC[8-[2-(2-hydroxy-2-methylpropyl)indazol-5-yl]-1,6-naphthyridin-2-yl]-(3-methoxyazetidin-1-yl)methanone
SMILESCOC1CN(C(=O)c2ccc3cncc(-c4ccc5nn(CC(C)(C)O)cc5c4)c3n2)C1
InChIInChI=1S/C24H25N5O3/c1-24(2,31)14-29-11-17-8-15(4-6-20(17)27-29)19-10-25-9-16-5-7-21(26-22(16)19)23(30)28-12-18(13-28)32-3/h4-11,18,31H,12-14H2,1-3H3
InChIKeySWYLYWZHEVEMJM-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.89
Rot. Bonds5

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

[8-[2-(2-hydroxy-2-methylpropyl)indazol-5-yl]-1,6-naphthyridin-2-yl]-(3-methoxyazetidin-1-yl)methanone (PubChem CID 118660752) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is [8-[2-(2-hydroxy-2-methylpropyl)indazol-5-yl]-1,6-naphthyridin-2-yl]-(3-methoxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name[8-[2-(2-hydroxy-2-methylpropyl)indazol-5-yl]-1,6-naphthyridin-2-yl]-(3-methoxyazetidin-1-yl)methanone
PubChem CID118660752
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name[8-[2-(2-hydroxy-2-methylpropyl)indazol-5-yl]-1,6-naphthyridin-2-yl]-(3-methoxyazetidin-1-yl)methanone
SMILESCOC1CN(C(=O)c2ccc3cncc(-c4ccc5nn(CC(C)(C)O)cc5c4)c3n2)C1
InChIInChI=1S/C24H25N5O3/c1-24(2,31)14-29-11-17-8-15(4-6-20(17)27-29)19-10-25-9-16-5-7-21(26-22(16)19)23(30)28-12-18(13-28)32-3/h4-11,18,31H,12-14H2,1-3H3
InChIKeySWYLYWZHEVEMJM-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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Related Compounds

Quinoline derivative 6
CID 89554734
4-(1-methylpyrazol-4-yl)-7-[[(2~{S})-2-(trifluoromethyl)morpholin-4-yl]methyl]quinoline-2-carboxamide
CID 117641885
[5-Amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(3-methoxyazetidin-1-yl)methanone
CID 118660867
(S)-8-Fluoro-4-(1-methyl-1H-pyrazol-4-yl)-7-((2-(trifluoromethyl)morpholino)methyl)quinoline-2-carboxamide
CID 89545211
N-[4-(morpholin-4-ylmethyl)phenyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 5309237
3-((3-(6-Methylpyridin-2-yl)-4-(quinolin-6-yl)-1H-pyrazol-1-yl)methyl)benzamide
CID 46907143
N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-5-(pyridin-3-yl)-1H-indazole-3-carboxamide
CID 71714628
Wgy5L2V9GM
CID 89545222
N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-5-(6-methylpyridin-3-yl)-1H-indazole-3-carboxamide
CID 89777948
N-methyl-8-(1-methylindazol-6-yl)-1,6-naphthyridine-2-carboxamide
CID 118660673
(3,3-Difluoroazetidin-1-yl)-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]methanone
CID 118660717
azetidin-1-yl(8-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-1,6-naphthyridin-2-yl)methanone
CID 118660778

Frequently Asked Questions

What is the IUPAC name of [8-[2-(2-hydroxy-2-methylpropyl)indazol-5-yl]-1,6-naphthyridin-2-yl]-(3-methoxyazetidin-1-yl)methanone?
The IUPAC name of [8-[2-(2-hydroxy-2-methylpropyl)indazol-5-yl]-1,6-naphthyridin-2-yl]-(3-methoxyazetidin-1-yl)methanone (CID 118660752) is [8-[2-(2-hydroxy-2-methylpropyl)indazol-5-yl]-1,6-naphthyridin-2-yl]-(3-methoxyazetidin-1-yl)methanone.
What is the SMILES notation for [8-[2-(2-hydroxy-2-methylpropyl)indazol-5-yl]-1,6-naphthyridin-2-yl]-(3-methoxyazetidin-1-yl)methanone?
The canonical SMILES for [8-[2-(2-hydroxy-2-methylpropyl)indazol-5-yl]-1,6-naphthyridin-2-yl]-(3-methoxyazetidin-1-yl)methanone is COC1CN(C(=O)c2ccc3cncc(-c4ccc5nn(CC(C)(C)O)cc5c4)c3n2)C1.
What is the InChIKey of [8-[2-(2-hydroxy-2-methylpropyl)indazol-5-yl]-1,6-naphthyridin-2-yl]-(3-methoxyazetidin-1-yl)methanone?
The InChIKey is SWYLYWZHEVEMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-24(2,31)14-29-11-17-8-15(4-6-20(17)27-29)19-10-25-9-16-5-7-21(26-22(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-[2-(2-hydroxy-2-methylpropyl)indazol-5-yl]-1,6-naphthyridin-2-yl]-(3-methoxyazetidin-1-yl)methanone?
[8-[2-(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-[2-(2-hydroxy-2-methylpropyl)indazol-5-yl]-1,6-naphthyridin-2-yl]-(3-methoxyazetidin-1-yl)methanone is sourced from PubChem (CID 118660752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).