2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-N-(3-methoxypropyl)-2-methylpropanamide

C23H30N4O4 — CID 134810138

IUPAC2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-N-(3-methoxypropyl)-2-methylpropanamide
SMILESCOCCCNC(=O)C(C)(C)Oc1nn(Cc2cccnc2)c2ccc(COC)cc12
InChIInChI=1S/C23H30N4O4/c1-23(2,22(28)25-11-6-12-29-3)31-21-19-13-17(16-30-4)8-9-20(19)27(26-21)15-18-7-5-10-24-14-18/h5,7-10,13-14H,6,11-12,15-16H2,1-4H3,(H,25,28)
InChIKeyPFJPUOOORMHNQD-UHFFFAOYSA-N
MW426.52 g/mol
LogP2.94
Rot. Bonds11

About 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-N-(3-methoxypropyl)-2-methylpropanamide

2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-N-(3-methoxypropyl)-2-methylpropanamide (PubChem CID 134810138) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-N-(3-methoxypropyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-N-(3-methoxypropyl)-2-methylpropanamide
PubChem CID134810138
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Name2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-N-(3-methoxypropyl)-2-methylpropanamide
SMILESCOCCCNC(=O)C(C)(C)Oc1nn(Cc2cccnc2)c2ccc(COC)cc12
InChIInChI=1S/C23H30N4O4/c1-23(2,22(28)25-11-6-12-29-3)31-21-19-13-17(16-30-4)8-9-20(19)27(26-21)15-18-7-5-10-24-14-18/h5,7-10,13-14H,6,11-12,15-16H2,1-4H3,(H,25,28)
InChIKeyPFJPUOOORMHNQD-UHFFFAOYSA-N
XLogP2.94
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Azd-2906
CID 25013811
N-[2-(4-phenyl-10-oxa-5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-3-yl)ethyl]acetamide
CID 24955343
2,2-difluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(6-methoxy-3-pyridinyl)-3-methylbutan-2-yl]propanamide
CID 145964914
(E)-N,N-dimethyl-4-[2-[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyridin-2-yl]oxyethylamino]but-2-enamide
CID 124091040
N-[[1-(6-methoxy-3-pyridinyl)indazol-5-yl]methyl]-2-propylpentanamide
CID 45270116
N-[[1-(2-methoxy-3-pyridinyl)indazol-5-yl]methyl]-2-propylpentanamide
CID 45273599
2,2-difluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(6-methoxy-3-pyridinyl)-3-phenylpropan-2-yl]propanamide
CID 145966706
2,2-difluoro-N-[(1S,2R)-2-[1-(4-fluorophenyl)indazol-5-yl]oxy-2-(6-methoxy-3-pyridinyl)-1-[(2-methylpropan-2-yl)oxy]ethyl]propanamide
CID 145976543
N-methyl-6-[4-[2-[3-(1-methylpyrazol-4-yl)-6-oxopyridazin-1-yl]ethoxy]quinolin-7-yl]oxyhexanamide
CID 145977522
N-(2-methylindazol-6-yl)-2-(2-methylphenoxy)acetamide
CID 155516305
N-(2-ethylindazol-6-yl)-2-(2-methylphenoxy)acetamide
CID 155519116
2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-yl)propanamide
CID 134807094

Frequently Asked Questions

What is the IUPAC name of 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-N-(3-methoxypropyl)-2-methylpropanamide?
The IUPAC name of 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-N-(3-methoxypropyl)-2-methylpropanamide (CID 134810138) is 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-N-(3-methoxypropyl)-2-methylpropanamide.
What is the SMILES notation for 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-N-(3-methoxypropyl)-2-methylpropanamide?
The canonical SMILES for 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-N-(3-methoxypropyl)-2-methylpropanamide is COCCCNC(=O)C(C)(C)Oc1nn(Cc2cccnc2)c2ccc(COC)cc12.
What is the InChIKey of 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-N-(3-methoxypropyl)-2-methylpropanamide?
The InChIKey is PFJPUOOORMHNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-23(2,22(28)25-11-6-12-29-3)31-21-19-13-17(16-30-4)8-9-20(19)27(26-21)15-18-7-5-10-24-14-18/h5,7-10,13-14H,6,11-12,15-16H2,1-4H3,(H,25,28).
What are the key properties of 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-N-(3-methoxypropyl)-2-methylpropanamide?
2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-N-(3-methoxypropyl)-2-methylpropanamide has a molecular weight of 426.52 g/mol, XLogP of 2.94, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-N-(3-methoxypropyl)-2-methylpropanamide is sourced from PubChem (CID 134810138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).