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

C23H22ClN5O2 — CID 134809756

IUPAC2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(pyrazin-2-ylmethyl)propanamide
SMILESCC(C)(Oc1nn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)NCc1cnccn1
InChIInChI=1S/C23H22ClN5O2/c1-23(2,22(30)27-14-18-13-25-10-11-26-18)31-21-19-8-3-4-9-20(19)29(28-21)15-16-6-5-7-17(24)12-16/h3-13H,14-15H2,1-2H3,(H,27,30)
InChIKeyBXCVXSHSVGGGRY-UHFFFAOYSA-N
MW435.92 g/mol
LogP4.00
Rot. Bonds7

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

2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(pyrazin-2-ylmethyl)propanamide (PubChem CID 134809756) has the molecular formula C23H22ClN5O2 and a molecular weight of 435.92 g/mol. Its IUPAC name is 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(pyrazin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(pyrazin-2-ylmethyl)propanamide
PubChem CID134809756
Molecular FormulaC23H22ClN5O2
Molecular Weight435.92 g/mol
Exact Mass435.15
IUPAC Name2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(pyrazin-2-ylmethyl)propanamide
SMILESCC(C)(Oc1nn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)NCc1cnccn1
InChIInChI=1S/C23H22ClN5O2/c1-23(2,22(30)27-14-18-13-25-10-11-26-18)31-21-19-8-3-4-9-20(19)29(28-21)15-16-6-5-7-17(24)12-16/h3-13H,14-15H2,1-2H3,(H,27,30)
InChIKeyBXCVXSHSVGGGRY-UHFFFAOYSA-N
XLogP4.00
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.92
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-(3-imidazol-1-ylpropyl)-2-methylpropanamide
CID 134808502
2-[1-[(3-Chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 134807876
2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-[2-(dimethylamino)ethyl]-2-methylpropanamide
CID 134808475
2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 134809900
2-methyl-2-[1-(2-phenoxyethyl)indazol-3-yl]oxy-N-(pyrazin-2-ylmethyl)propanamide
CID 134806442
2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-N-(3-methoxypropyl)-2-methylpropanamide
CID 134810138
2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-pyridin-3-ylpropanamide
CID 134805060
2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 134805061
2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-(2-methoxyethyl)-2-methylpropanamide
CID 134806786
2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)propanamide
CID 134807064
2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(oxan-4-yl)propanamide
CID 134807336
2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 134807344

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(pyrazin-2-ylmethyl)propanamide?
The IUPAC name of 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(pyrazin-2-ylmethyl)propanamide (CID 134809756) is 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(pyrazin-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(pyrazin-2-ylmethyl)propanamide?
The canonical SMILES for 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(pyrazin-2-ylmethyl)propanamide is CC(C)(Oc1nn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)NCc1cnccn1.
What is the InChIKey of 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(pyrazin-2-ylmethyl)propanamide?
The InChIKey is BXCVXSHSVGGGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O2/c1-23(2,22(30)27-14-18-13-25-10-11-26-18)31-21-19-8-3-4-9-20(19)29(28-21)15-16-6-5-7-17(24)12-16/h3-13H,14-15H2,1-2H3,(H,27,30).
What are the key properties of 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(pyrazin-2-ylmethyl)propanamide?
2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(pyrazin-2-ylmethyl)propanamide has a molecular weight of 435.92 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(pyrazin-2-ylmethyl)propanamide is sourced from PubChem (CID 134809756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).