2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(pyrazin-2-ylmethyl)propanamide

C25H27N5O3 — CID 134807859

IUPAC2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(pyrazin-2-ylmethyl)propanamide
SMILESCOCc1ccc2c(c1)c(OC(C)(C)C(=O)NCc1cnccn1)nn2Cc1ccccc1
InChIInChI=1S/C25H27N5O3/c1-25(2,24(31)28-15-20-14-26-11-12-27-20)33-23-21-13-19(17-32-3)9-10-22(21)30(29-23)16-18-7-5-4-6-8-18/h4-14H,15-17H2,1-3H3,(H,28,31)
InChIKeyQWAXWXQBWCEVLV-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.49
Rot. Bonds9

About 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(pyrazin-2-ylmethyl)propanamide

2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(pyrazin-2-ylmethyl)propanamide (PubChem CID 134807859) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(pyrazin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(pyrazin-2-ylmethyl)propanamide
PubChem CID134807859
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(pyrazin-2-ylmethyl)propanamide
SMILESCOCc1ccc2c(c1)c(OC(C)(C)C(=O)NCc1cnccn1)nn2Cc1ccccc1
InChIInChI=1S/C25H27N5O3/c1-25(2,24(31)28-15-20-14-26-11-12-27-20)33-23-21-13-19(17-32-3)9-10-22(21)30(29-23)16-18-7-5-4-6-8-18/h4-14H,15-17H2,1-3H3,(H,28,31)
InChIKeyQWAXWXQBWCEVLV-UHFFFAOYSA-N
XLogP3.49
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-(6-methoxy-3-pyridinyl)indazol-5-yl]oxy-3-methyl-1-phenylbutan-2-yl]propanamide
CID 145965716
US10034861, Example 45
CID 132273343
US10034861, Example 108
CID 132273406
2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-yl)propanamide
CID 134807094
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-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide
CID 134810046
2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-N-(3-imidazol-1-ylpropyl)-2-methylpropanamide
CID 134810271
US9914735, Example 62
CID 118401279
US9914735, Example 67
CID 118401282

Frequently Asked Questions

What is the IUPAC name of 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(pyrazin-2-ylmethyl)propanamide?
The IUPAC name of 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(pyrazin-2-ylmethyl)propanamide (CID 134807859) is 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(pyrazin-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(pyrazin-2-ylmethyl)propanamide?
The canonical SMILES for 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(pyrazin-2-ylmethyl)propanamide is COCc1ccc2c(c1)c(OC(C)(C)C(=O)NCc1cnccn1)nn2Cc1ccccc1.
What is the InChIKey of 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(pyrazin-2-ylmethyl)propanamide?
The InChIKey is QWAXWXQBWCEVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-25(2,24(31)28-15-20-14-26-11-12-27-20)33-23-21-13-19(17-32-3)9-10-22(21)30(29-23)16-18-7-5-4-6-8-18/h4-14H,15-17H2,1-3H3,(H,28,31).
What are the key properties of 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(pyrazin-2-ylmethyl)propanamide?
2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(pyrazin-2-ylmethyl)propanamide has a molecular weight of 445.52 g/mol, XLogP of 3.49, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(pyrazin-2-ylmethyl)propanamide is sourced from PubChem (CID 134807859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).