2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide

C25H32N4O4 — CID 134810046

IUPAC2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide
SMILESCOCc1ccc2c(c1)c(OC(C)(C)C(=O)NCC1CCOCC1)nn2Cc1cccnc1
InChIInChI=1S/C25H32N4O4/c1-25(2,24(30)27-15-18-8-11-32-12-9-18)33-23-21-13-19(17-31-3)6-7-22(21)29(28-23)16-20-5-4-10-26-14-20/h4-7,10,13-14,18H,8-9,11-12,15-17H2,1-3H3,(H,27,30)
InChIKeyFOUSFMMMCWEYLT-UHFFFAOYSA-N
MW452.56 g/mol
LogP3.33
Rot. Bonds9

About 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide

2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide (PubChem CID 134810046) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide
PubChem CID134810046
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC Name2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide
SMILESCOCc1ccc2c(c1)c(OC(C)(C)C(=O)NCC1CCOCC1)nn2Cc1cccnc1
InChIInChI=1S/C25H32N4O4/c1-25(2,24(30)27-15-18-8-11-32-12-9-18)33-23-21-13-19(17-31-3)6-7-22(21)29(28-23)16-20-5-4-10-26-14-20/h4-7,10,13-14,18H,8-9,11-12,15-17H2,1-3H3,(H,27,30)
InChIKeyFOUSFMMMCWEYLT-UHFFFAOYSA-N
XLogP3.33
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Azd-2906
CID 25013811
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
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
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-pyridin-3-ylpropan-2-yl]cyclopropanecarboxamide
CID 134149846
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
2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-yl)propanamide
CID 134807094
2-[1-(cyclopropylmethyl)-5-(pyrrolidin-1-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2-methylpropyl)propanamide
CID 134809742
2-[5-(Methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methyl-1-morpholin-4-ylpropan-1-one
CID 134809864
2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-N-[2-(dimethylamino)ethyl]-2-methylpropanamide
CID 134809871
2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-N-(3-imidazol-1-ylpropyl)-2-methylpropanamide
CID 134810271

Frequently Asked Questions

What is the IUPAC name of 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide?
The IUPAC name of 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide (CID 134810046) is 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide.
What is the SMILES notation for 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide?
The canonical SMILES for 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide is COCc1ccc2c(c1)c(OC(C)(C)C(=O)NCC1CCOCC1)nn2Cc1cccnc1.
What is the InChIKey of 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide?
The InChIKey is FOUSFMMMCWEYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-25(2,24(30)27-15-18-8-11-32-12-9-18)33-23-21-13-19(17-31-3)6-7-22(21)29(28-23)16-20-5-4-10-26-14-20/h4-7,10,13-14,18H,8-9,11-12,15-17H2,1-3H3,(H,27,30).
What are the key properties of 2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide?
2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide has a molecular weight of 452.56 g/mol, XLogP of 3.33, 9 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-2-methyl-N-(oxan-4-ylmethyl)propanamide is sourced from PubChem (CID 134810046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).